Information card for entry 2005960

Structure parameters

• Common name: hexacopper(II) bis(hexaphenylsiloxanolate) dimethylformamide solvate
• Chemical name: bis(hexa-μ-oxo-cis-2,4,6,8,10,12-hexaphenylsiloxan-2,4,6,8,10,12-olato)- hexa(dimethylformamido-O)hexacopper(II) dimethylformamide solvate,
• Formula: C102 H130 Cu6 N10 O34 Si12
• Calculated formula: C102 H130 Cu6 N10 O34 Si12
• SMILES: C(N(C)C)=[O][Cu]123[O]4[Cu]56([O]1[Si]1(c7ccccc7)O[Si]7(O[Si]8(O[Si]9(O[Si]%10(O[Si](c%11ccccc%11)([O]6[Cu]6%11([O]%12[Cu]%13([O]%14[Cu]%15([O]8[Cu]8([O]37)([O]%15[Si]3(O[Si]%14(O[Si]%12(O[Si](O[Si]4(O[Si](O3)(c3ccccc3)[O]28)c2ccccc2)(c2ccccc2)[O]5%11)c2ccccc2)c2ccccc2)c2ccccc2)[O]=CN(C)C)([O]=CN(C)C)[O]9%13)([O]=CN(C)C)[O]%106)[O]=CN(C)C)O1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[O]=CN(C)C.C(=O)N(C)C.O=CN(C)C.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Hexakis(dimethylformamide)bis(hexaphenylcyclohexasiloxanehexaolato)hexacopper(II) Dimethylformamide Solvate
• Authors of publication: Lindeman, S. V.; Shchegolikhina, O. I.; Molodtsova, Y. A.; Zhdanov, A. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 305 - 309
• a: 17.75 ± 0.008 Å
• b: 18.382 ± 0.01 Å
• c: 20.129 ± 0.01 Å
• α: 90°
• β: 109.31°
• γ: 90°
• Cell volume: 6198 ± 5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.0963
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No