Information card for entry 2234847

Structure parameters

• Chemical name: Bis(μ-4,4;6,6-bis(biphenyl-2,2'-diyldioxy)-2,2-bis{2-[5-(pyridin-4-yl)-1,3,4- oxadiazol-2-yl]phenoxy}cyclotriphosphazene)di-μ-chlorido- bis[chloridocopper(II)]
• Formula: C100 H64 Cl4 Cu2 N18 O16 P6
• Calculated formula: C100 H64 Cl4 Cu2 N18 O16 P6
• SMILES: c1cc2cc[n]1[Cu]13([n]4ccc(c5nnc(o5)c5c(OP6(=NP7(=NP8(=N6)Oc6ccccc6c6ccccc6O8)Oc6ccccc6c6ccccc6O7)Oc6c(c7nnc(c8cc[n](cc8)[Cu]([n]8ccc(c9nnc(o9)c9c(OP%10(=NP%11(=NP%12(=N%10)Oc%10ccccc%10c%10ccccc%10O%12)Oc%10ccccc%10c%10ccccc%10O%11)Oc%10c(c%11nnc2o%11)cccc%10)cccc9)cc8)(Cl)([Cl]1)[Cl]3)o7)cccc6)cccc5)cc4)Cl
• Title of publication: Bis(μ-4,4;6,6-bis(biphenyl-2,2'-diyldioxy)-2,2-bis{2-[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]phenoxy}cyclotriphosphazene)di-μ-chlorido-bis[chloridocopper(II)]
• Authors of publication: Wu, Xiang-Wen; Wang, Xiao-Yan; Ma, Jian-Ping; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m648 - m649
• a: 10.554 ± 0.005 Å
• b: 14.486 ± 0.007 Å
• c: 15.551 ± 0.008 Å
• α: 85.401 ± 0.007°
• β: 81.984 ± 0.007°
• γ: 89.844 ± 0.007°
• Cell volume: 2347 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes