The two complexes [Cu(C5H2N2O4)(H2O)3]·2H2O (1) and [Ni(C5H2N2O4)(H2O)4]·H2O (2) were synthesized by self assembly reactions of Cu(NO3)2·3H2O or Ni(CH3COO)2·4H2O with orotic acid (2,6 dioxo 1,2,3,6...The two complexes [Cu(C5H2N2O4)(H2O)3]·2H2O (1) and [Ni(C5H2N2O4)(H2O)4]·H2O (2) were synthesized by self assembly reactions of Cu(NO3)2·3H2O or Ni(CH3COO)2·4H2O with orotic acid (2,6 dioxo 1,2,3,6 tetrahydro 4 pyrimidinecarboxylic acid), respectively. Their crystal structures were determined by single crystal X ray diffraction analyses. Crystallographic data for complex 1: C5H8N2CuO7·2H2O, Mr=307.7, monoclinic P21/n, a=0.57710(1)nm, b=1.76863(6)nm, c=1.09955(4)nm, β=98.600(2)°, V=1.109.63(6)nm3, Z=4 , Dc=1.842g·cm-3, μ(MoKα)=2.010mm-1, F(000)=628, R=0.0436, wR=0.1015, And for complex 2: C5H10N2NiO8·H2O, Mr=302.88, orthorhombic Pbcn, a=2.0763(1)nm, b=1.69355(9)nm, c=0.73478(4)nm, V=2.5837(2)nm3, Z=8, Dc=1.557g·cm-3, μ(MoKα)=1.538 mm-1, F(000)=1248, R=0.0545, wR=0.1305. The X ray analyses revealed that the Cu? and Ni? atoms are both coordinated by carboxylic O atom and contiguous N atom of the pyrimidine ring. In complex 1 the Cu? atom has a slightly distorted square pyramid coordination environment with additional three water molecules, while in complex 2 the Ni? atom adopts a slightly distorted octahedral geometry with additional four water molecules. The three dimensional frameworks of the two complexes are formed by intermolecular hydrogen bonding interactions. CCDC: 1, 204881; 2, 204882.展开更多
GThe title compound was synthesized by reaction of Cu(ClO4)2, picolinic acid and carbamide in C2H5OH/CH3CN solution, and characterized by single crystal X ray diffraction. It crystallizes in the orthorhombic system, s...GThe title compound was synthesized by reaction of Cu(ClO4)2, picolinic acid and carbamide in C2H5OH/CH3CN solution, and characterized by single crystal X ray diffraction. It crystallizes in the orthorhombic system, space group Pbcawith a=14.0481(8), b=9.0130(5), c=18.626(1)?, V=2358.3(2)?3, Z=4, Dx=1.771g·cm-3, μ=1.235mm-1 and F(000)=1276. The final R factor is 0.0440 for 1434 observed reflections. The X ray analysis revealed that the copper?atom iscoordinated by two picolinic ligands in the equatorial plane, while the two oxygen atoms of perchlorate occupy the axial positions of octahedron with lengthened Cu O distances, resulting in a 4+2 elongated octahedral environment. In the compound, there also exist two protonated carbamide cations for charge balance. CCDC: 195354.展开更多
A new dinuclear Tb（Ⅲ） 4-cyanobenzoate complex [Tb2（4-cba）6（phen）2] （4-Hcba = 4-cyanobenzoic acid and phen = 1,10-phenanthroline） 1 has been synthesized by solvothermal reaction in an ethanol/water mixed solut...A new dinuclear Tb（Ⅲ） 4-cyanobenzoate complex [Tb2（4-cba）6（phen）2] （4-Hcba = 4-cyanobenzoic acid and phen = 1,10-phenanthroline） 1 has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data： C72H40N10O12Tb2, Mr=1554.98, triclinic Pi, a = 9.903（3）, b = 11.769（8）, c = 15.078（8）A, a = 111.42（12）, It = 96.37（19）, γ = 101-24（14）°, V= 1572（1）A3, Z= 1, Dc = 1.642 g/cm^3, F（000） = 768 μ = 2.305 mm^-1, the final R = 0.0205 and wR = 0.0543 for 5479 reflections with I 〉 2σ（I）. Structural analysis shows that 1 displays an isolated dinuclear structure. Two eight-coordinated Tb（Ⅲ） ions are bridged by four 4-cba ligands in the syn-syn bidentate coordination mode, and two other 4-cba ligands chelate these two Tb（Ⅲ） ions. The title complex molecules are connected through π-π stacking interactions to generate a one-dimensional supramolecular chain, The characteristic infrared spectra, luminescent properties and thermogravimetric analyses have also been discussed.展开更多
The reaction of 6,7-dicyanodipyridoquinoxaline （DICNQ） with AgNO3 in a 1：1 molar ratio by solution method gave a new complex [Ag（DICNQ）2]NO3 1. Single-crystal X-ray diffraction analysis reveals that the complex c...The reaction of 6,7-dicyanodipyridoquinoxaline （DICNQ） with AgNO3 in a 1：1 molar ratio by solution method gave a new complex [Ag（DICNQ）2]NO3 1. Single-crystal X-ray diffraction analysis reveals that the complex crystallizes in the space group Ibca of orthorhombic system with eight formula units in a cell. Crystal data for 1： a = 15.7055（17）, b = 18.411（2）, c = 20.680（2）A, V = 5979.7（11）A3, Z = 8, C32Hl2AgN13O3, Mr = 734.42, Dc = 1.632 g/cm3, μ= 0.734 mm-1, F（000） = 2928, S = 1.023 and T= 293（2） K. The final R = 0.0659 and wR = 0.1927 for 2118 observed reflections with I 〉 2σ（I）, and R = 0.0801 and wR = 0.2196 for all data. The complex builds up a packing structure by π-π stacking interactions and shows a luminescent feature.展开更多
A new lanthanide complex [Sm（C2O4）（H2O）5]nCln·2nH2O has been obtained by hydrothermal synthetic method. The crystal belongs to monoclinic, space group P21/n, with a = 7.5438（6）, b = 14.3201（11）, c = 10.8...A new lanthanide complex [Sm（C2O4）（H2O）5]nCln·2nH2O has been obtained by hydrothermal synthetic method. The crystal belongs to monoclinic, space group P21/n, with a = 7.5438（6）, b = 14.3201（11）, c = 10.8608（9）A, β = 94.565（4）°, V = 1169.55（16）A^3, C2H14ClO11Sm, Mr = 399.93, Z = 4, Dc = 2.271 g/cm^3, μ = 5.290 cm^-1, F（000） = 772, the final R = 0.0271 and wR = 0.0632 for 1880 observed reflections with I 〉 2σ（I）. X-ray crystal analysis reveals that each Sm（III） atom is nine-coordinated by four oxygen atoms from two oxalate ligands and five coordinated water molecules in a distorted tricapped trigonal prism. The chain-like structure of lanthanide oxalate is reported for the first time. The fluorescent property and magnetic behavior of the title compound were investigated. The θ of –14.3（2）° and J of –0.26 cm^-1 indicate antiferromagnetic interaction in the molecule.展开更多
The investigation of the supramolecular interactions between the zinc chloride salts and the crown ether in tetrahydrofuran （THF） with the diffusion of in situ formed DMA （DMA = dimethylamine） ligand leads to two ...The investigation of the supramolecular interactions between the zinc chloride salts and the crown ether in tetrahydrofuran （THF） with the diffusion of in situ formed DMA （DMA = dimethylamine） ligand leads to two novel zinc-DMA compounds, [（H3O）·（18C-6）][ZnCl3（DMA）] 1 and [（HDMA）·（18C-6）][ZnCl3（DMA）] 2 （18C-6 = 18-crown-6）, whose emissions fall into the blue-emission field. Crystal data for compound 1： monoclinic, space group P21/c, a = 8.753（1）, b = 14.538（2）, c = 19.969（3）A, β = 110.121（7）°, V = 2386.2（5）A^3, T = 293（2） K, Z = 4, Mr = 500.14, Dc= 1.392 g/cm^3,μ = 1.395 mm^-1, F（000） = 1048, S = 1.006, R = 0.0611 and wR = 0.1755 for 3676 observed reflections with I 〉 2σ（I） and 235 parameters. For 2： triclinic, space group P1^-, a = 9.2672（4）, b = 11.8778（2）, c = 13.3846（1） A, a = 67.09（1）, β = 75.54（2）, ）,γ = 81.32（2）°, V = 1311.74（6） A^3, T = 293（2） K, Z = 2, Mr = 527.21, Dc = 1.335 g/cm^3,μ = 1.271 mm^-1, F（000） = 556, S = 1.006, R = 0.0393 and wR = 0.1034 for 3839 observed reflections with I〉 2σ（I）.展开更多
The title compound ((CH3CH2CH2CH2NH3)2SnBr6, Mr = 746.44) has been syn- thesized by hydrothermal technique and its crystal structure was determined by X-ray diffraction method. It crystallizes in monoclinic, space g...The title compound ((CH3CH2CH2CH2NH3)2SnBr6, Mr = 746.44) has been syn- thesized by hydrothermal technique and its crystal structure was determined by X-ray diffraction method. It crystallizes in monoclinic, space group P21/m with a = 10.633(2), b = 7.6152(15), c = 12.633(3) ?, β = 103.25(3)°, V = 995.7(4) ?3, Z = 2, Dc = 2.490 g/cm3, F(000) = 692, μ(MoKα) = 13.309 mm-1 and T = 293(2) K. The final R = 0.0634 and wR = 0.1236 for 936 observed reflections with I > 2σ(I). Each tin atom in the present compound is coordinated by six bromine atoms to adopt a slightly distorted octahedral geometry. The interactions between protonated organic amine and [SnBr6]4- anions are electrostatic. The thermogravimetric analysis shows that the compound is not decomposed until 260 ℃. The optical absorption spectrum of the compound reveals the appearance of a sharp optical gap of 2.95 eV, and fluorescence study shows it displays intense blue emission in solid state.展开更多
The solution reactions of the metal salts with 2,2＇-bipyfidine （2,2＇-bipy） and ethyl tetrazole-5-carboxylate （Hetzc） afforded two new tetrazole-based complexes M（2,2＇-bipy）2（etzc）2 （M=Mn 1, Zn 2）, and the...The solution reactions of the metal salts with 2,2＇-bipyfidine （2,2＇-bipy） and ethyl tetrazole-5-carboxylate （Hetzc） afforded two new tetrazole-based complexes M（2,2＇-bipy）2（etzc）2 （M=Mn 1, Zn 2）, and their crystal structures were determined by single-crystal X-ray diffraction analyses. Crystallographic data for 1： C28H26MnN12O4, Mr = 649.55, monoclinic, space group C2/c, a= 19.326（15）, b = 11.051（6）, c = 16.388（13）А,β= 117.38（4）° V= 3108（4） А^3, Z= 4, Dc = 1.388 g/cm^3, F（000） = 1340, R = 0.0557 and wR = 0.1269; and those for 2： C28H26ZnN12O4, Mr = 659.98, monoclinic, space group C2/c, a = 19.173（4）, b = 11.006（2）, c = 16.266（4） А, β= 118.11（3）°, V= 3027.4（11） А^3, Z = 4, Dc=1.448 g/cm3, F（000） = 1360, R = 0.0428 and wR = 0.1000. The structures of 1 and 2 are isomorphic and consist of isolated neutral mononuclear units. The metal atoms have highly distorted octahedral coordination environments with two N atoms from two etzc ligands and four N atoms from two 2,2＇-bipy molecules. The isolated mononuclear units are connected by π…π stacking interactions to generate one-dimensional chains. The thermal stability and photoluminescence have also been discussed.展开更多
The crystal structure of the title complex, [Ag3(μ3-I)2(μ2-dppm)3]I?0.5THF?0.5H2O (dppm = bis(diphenylphino) methane and THF = tetrahydrofuran), has been determined by single- crystal X-ray diffraction, revealing ...The crystal structure of the title complex, [Ag3(μ3-I)2(μ2-dppm)3]I?0.5THF?0.5H2O (dppm = bis(diphenylphino) methane and THF = tetrahydrofuran), has been determined by single- crystal X-ray diffraction, revealing it consists of a trinuclear [Ag3I2(dppm)3]+ cation with a tri- gonal bipyramidal [Ag3(μ3-I)2] cluster, a discrete iodine anion, one half THF and one half H2O solvent molecules. The short Ag???Ag distances (Ag(1)???Ag(2) = 3.1307(4), Ag(1)???Ag(3) = 3.2527(4) and Ag(2)???Ag(3) = 3.3209(4) ?) in the cluster suggest the existence of argentophilic interactions between the silver atoms. The crystal belongs to monoclinic, space group P21/n with a = 19.172(2), b = 18.819(1), c = 21.316(1) ?, β = 91.081(4)°, V = 7689.4(9) ?3, Dc = 1.643 g/cm3, Z = 4, C77H71Ag3I3OP6, Mr = 1902.47, μ = 2.127 mm-1, λ(MoKα) = 0.71073 ? and F(000) = 3724. The final R = 0.0584 and wR = 0.0928 for 8470 observed reflections with I > 2σ(I). The electronic emission spectrum shows a broad band around 408 nm which is assigned to the ligand-to-metal charge-transfer (LMCT) [I- → Ag3] excited state, mixed with a metal-centred (ds/dp) state.展开更多
文摘The two complexes [Cu(C5H2N2O4)(H2O)3]·2H2O (1) and [Ni(C5H2N2O4)(H2O)4]·H2O (2) were synthesized by self assembly reactions of Cu(NO3)2·3H2O or Ni(CH3COO)2·4H2O with orotic acid (2,6 dioxo 1,2,3,6 tetrahydro 4 pyrimidinecarboxylic acid), respectively. Their crystal structures were determined by single crystal X ray diffraction analyses. Crystallographic data for complex 1: C5H8N2CuO7·2H2O, Mr=307.7, monoclinic P21/n, a=0.57710(1)nm, b=1.76863(6)nm, c=1.09955(4)nm, β=98.600(2)°, V=1.109.63(6)nm3, Z=4 , Dc=1.842g·cm-3, μ(MoKα)=2.010mm-1, F(000)=628, R=0.0436, wR=0.1015, And for complex 2: C5H10N2NiO8·H2O, Mr=302.88, orthorhombic Pbcn, a=2.0763(1)nm, b=1.69355(9)nm, c=0.73478(4)nm, V=2.5837(2)nm3, Z=8, Dc=1.557g·cm-3, μ(MoKα)=1.538 mm-1, F(000)=1248, R=0.0545, wR=0.1305. The X ray analyses revealed that the Cu? and Ni? atoms are both coordinated by carboxylic O atom and contiguous N atom of the pyrimidine ring. In complex 1 the Cu? atom has a slightly distorted square pyramid coordination environment with additional three water molecules, while in complex 2 the Ni? atom adopts a slightly distorted octahedral geometry with additional four water molecules. The three dimensional frameworks of the two complexes are formed by intermolecular hydrogen bonding interactions. CCDC: 1, 204881; 2, 204882.
文摘GThe title compound was synthesized by reaction of Cu(ClO4)2, picolinic acid and carbamide in C2H5OH/CH3CN solution, and characterized by single crystal X ray diffraction. It crystallizes in the orthorhombic system, space group Pbcawith a=14.0481(8), b=9.0130(5), c=18.626(1)?, V=2358.3(2)?3, Z=4, Dx=1.771g·cm-3, μ=1.235mm-1 and F(000)=1276. The final R factor is 0.0440 for 1434 observed reflections. The X ray analysis revealed that the copper?atom iscoordinated by two picolinic ligands in the equatorial plane, while the two oxygen atoms of perchlorate occupy the axial positions of octahedron with lengthened Cu O distances, resulting in a 4+2 elongated octahedral environment. In the compound, there also exist two protonated carbamide cations for charge balance. CCDC: 195354.
基金the National Natural Science Foundation of China (20671091) Natural Science of Fujian Province (A0420002 and 2005I017)
文摘A new dinuclear Tb（Ⅲ） 4-cyanobenzoate complex [Tb2（4-cba）6（phen）2] （4-Hcba = 4-cyanobenzoic acid and phen = 1,10-phenanthroline） 1 has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data： C72H40N10O12Tb2, Mr=1554.98, triclinic Pi, a = 9.903（3）, b = 11.769（8）, c = 15.078（8）A, a = 111.42（12）, It = 96.37（19）, γ = 101-24（14）°, V= 1572（1）A3, Z= 1, Dc = 1.642 g/cm^3, F（000） = 768 μ = 2.305 mm^-1, the final R = 0.0205 and wR = 0.0543 for 5479 reflections with I 〉 2σ（I）. Structural analysis shows that 1 displays an isolated dinuclear structure. Two eight-coordinated Tb（Ⅲ） ions are bridged by four 4-cba ligands in the syn-syn bidentate coordination mode, and two other 4-cba ligands chelate these two Tb（Ⅲ） ions. The title complex molecules are connected through π-π stacking interactions to generate a one-dimensional supramolecular chain, The characteristic infrared spectra, luminescent properties and thermogravimetric analyses have also been discussed.
基金supported by NNSFC (20701037)a Key Project from the CAS (KJCX2-YW-H01)the NSF of Fujian Province (E0510029)
文摘The reaction of 6,7-dicyanodipyridoquinoxaline （DICNQ） with AgNO3 in a 1：1 molar ratio by solution method gave a new complex [Ag（DICNQ）2]NO3 1. Single-crystal X-ray diffraction analysis reveals that the complex crystallizes in the space group Ibca of orthorhombic system with eight formula units in a cell. Crystal data for 1： a = 15.7055（17）, b = 18.411（2）, c = 20.680（2）A, V = 5979.7（11）A3, Z = 8, C32Hl2AgN13O3, Mr = 734.42, Dc = 1.632 g/cm3, μ= 0.734 mm-1, F（000） = 2928, S = 1.023 and T= 293（2） K. The final R = 0.0659 and wR = 0.1927 for 2118 observed reflections with I 〉 2σ（I）, and R = 0.0801 and wR = 0.2196 for all data. The complex builds up a packing structure by π-π stacking interactions and shows a luminescent feature.
基金This work was supported by the NNSFC (20131020)the NSF for Distinguished Yong Scientist of China (20425104)the NSF of Fujian Province (E0510028)
文摘A new lanthanide complex [Sm（C2O4）（H2O）5]nCln·2nH2O has been obtained by hydrothermal synthetic method. The crystal belongs to monoclinic, space group P21/n, with a = 7.5438（6）, b = 14.3201（11）, c = 10.8608（9）A, β = 94.565（4）°, V = 1169.55（16）A^3, C2H14ClO11Sm, Mr = 399.93, Z = 4, Dc = 2.271 g/cm^3, μ = 5.290 cm^-1, F（000） = 772, the final R = 0.0271 and wR = 0.0632 for 1880 observed reflections with I 〉 2σ（I）. X-ray crystal analysis reveals that each Sm（III） atom is nine-coordinated by four oxygen atoms from two oxalate ligands and five coordinated water molecules in a distorted tricapped trigonal prism. The chain-like structure of lanthanide oxalate is reported for the first time. The fluorescent property and magnetic behavior of the title compound were investigated. The θ of –14.3（2）° and J of –0.26 cm^-1 indicate antiferromagnetic interaction in the molecule.
基金supported by the Scientific Research Foundation for Doctors of Chongqing Normal University (06XLB016)Scientific Project of Chongqing Municipal Education Commission (KJ070812)the NSF of Fujian Province (E0510029)
文摘The investigation of the supramolecular interactions between the zinc chloride salts and the crown ether in tetrahydrofuran （THF） with the diffusion of in situ formed DMA （DMA = dimethylamine） ligand leads to two novel zinc-DMA compounds, [（H3O）·（18C-6）][ZnCl3（DMA）] 1 and [（HDMA）·（18C-6）][ZnCl3（DMA）] 2 （18C-6 = 18-crown-6）, whose emissions fall into the blue-emission field. Crystal data for compound 1： monoclinic, space group P21/c, a = 8.753（1）, b = 14.538（2）, c = 19.969（3）A, β = 110.121（7）°, V = 2386.2（5）A^3, T = 293（2） K, Z = 4, Mr = 500.14, Dc= 1.392 g/cm^3,μ = 1.395 mm^-1, F（000） = 1048, S = 1.006, R = 0.0611 and wR = 0.1755 for 3676 observed reflections with I 〉 2σ（I） and 235 parameters. For 2： triclinic, space group P1^-, a = 9.2672（4）, b = 11.8778（2）, c = 13.3846（1） A, a = 67.09（1）, β = 75.54（2）, ）,γ = 81.32（2）°, V = 1311.74（6） A^3, T = 293（2） K, Z = 2, Mr = 527.21, Dc = 1.335 g/cm^3,μ = 1.271 mm^-1, F（000） = 556, S = 1.006, R = 0.0393 and wR = 0.1034 for 3839 observed reflections with I〉 2σ（I）.
基金This work was supported by the National Natural Science Foundation of China (20001007 20131020)and Natural Science Foundation of Fujian Province (2003I031)
文摘The title compound ((CH3CH2CH2CH2NH3)2SnBr6, Mr = 746.44) has been syn- thesized by hydrothermal technique and its crystal structure was determined by X-ray diffraction method. It crystallizes in monoclinic, space group P21/m with a = 10.633(2), b = 7.6152(15), c = 12.633(3) ?, β = 103.25(3)°, V = 995.7(4) ?3, Z = 2, Dc = 2.490 g/cm3, F(000) = 692, μ(MoKα) = 13.309 mm-1 and T = 293(2) K. The final R = 0.0634 and wR = 0.1236 for 936 observed reflections with I > 2σ(I). Each tin atom in the present compound is coordinated by six bromine atoms to adopt a slightly distorted octahedral geometry. The interactions between protonated organic amine and [SnBr6]4- anions are electrostatic. The thermogravimetric analysis shows that the compound is not decomposed until 260 ℃. The optical absorption spectrum of the compound reveals the appearance of a sharp optical gap of 2.95 eV, and fluorescence study shows it displays intense blue emission in solid state.
基金supported by the National Natural Science Foundation of China (20871115)the Knowledge Innovation Program of the Chinese Academy of Sciences and Natural Science Foundation of Fujian Province (A0420002 and E0510029)
文摘The solution reactions of the metal salts with 2,2＇-bipyfidine （2,2＇-bipy） and ethyl tetrazole-5-carboxylate （Hetzc） afforded two new tetrazole-based complexes M（2,2＇-bipy）2（etzc）2 （M=Mn 1, Zn 2）, and their crystal structures were determined by single-crystal X-ray diffraction analyses. Crystallographic data for 1： C28H26MnN12O4, Mr = 649.55, monoclinic, space group C2/c, a= 19.326（15）, b = 11.051（6）, c = 16.388（13）А,β= 117.38（4）° V= 3108（4） А^3, Z= 4, Dc = 1.388 g/cm^3, F（000） = 1340, R = 0.0557 and wR = 0.1269; and those for 2： C28H26ZnN12O4, Mr = 659.98, monoclinic, space group C2/c, a = 19.173（4）, b = 11.006（2）, c = 16.266（4） А, β= 118.11（3）°, V= 3027.4（11） А^3, Z = 4, Dc=1.448 g/cm3, F（000） = 1360, R = 0.0428 and wR = 0.1000. The structures of 1 and 2 are isomorphic and consist of isolated neutral mononuclear units. The metal atoms have highly distorted octahedral coordination environments with two N atoms from two etzc ligands and four N atoms from two 2,2＇-bipy molecules. The isolated mononuclear units are connected by π…π stacking interactions to generate one-dimensional chains. The thermal stability and photoluminescence have also been discussed.
文摘The crystal structure of the title complex, [Ag3(μ3-I)2(μ2-dppm)3]I?0.5THF?0.5H2O (dppm = bis(diphenylphino) methane and THF = tetrahydrofuran), has been determined by single- crystal X-ray diffraction, revealing it consists of a trinuclear [Ag3I2(dppm)3]+ cation with a tri- gonal bipyramidal [Ag3(μ3-I)2] cluster, a discrete iodine anion, one half THF and one half H2O solvent molecules. The short Ag???Ag distances (Ag(1)???Ag(2) = 3.1307(4), Ag(1)???Ag(3) = 3.2527(4) and Ag(2)???Ag(3) = 3.3209(4) ?) in the cluster suggest the existence of argentophilic interactions between the silver atoms. The crystal belongs to monoclinic, space group P21/n with a = 19.172(2), b = 18.819(1), c = 21.316(1) ?, β = 91.081(4)°, V = 7689.4(9) ?3, Dc = 1.643 g/cm3, Z = 4, C77H71Ag3I3OP6, Mr = 1902.47, μ = 2.127 mm-1, λ(MoKα) = 0.71073 ? and F(000) = 3724. The final R = 0.0584 and wR = 0.0928 for 8470 observed reflections with I > 2σ(I). The electronic emission spectrum shows a broad band around 408 nm which is assigned to the ligand-to-metal charge-transfer (LMCT) [I- → Ag3] excited state, mixed with a metal-centred (ds/dp) state.
