Information card for entry 8103019

Structure parameters

• Chemical name: {bis[μ-bis(diphenylphosphino)methane]- (μ-bromo)-isoquinolinebromodicopper(I)} -naphthalinequinolineacetonitrile, [Cu~2~(dppm)~2~(i-C~9~H~7~N)Br~2~].(C~10~H~8~)(C~9~H~7~N)CH~3~CN
• Formula: C75 H65 Br2 Cu2 N3 P4
• Calculated formula: C75 H65 Br2 Cu2 N3 P4
• Title of publication: Crystal structure of bis-[m-bis(diphenylphosphino)methane]-(m-bromo)-isoquinolinebromodicopper(I)-naphthaline - quinoline - acetonitrile, [Cu2(CH2(P(C6H5)2)2)2(i-C9H7N)]Br2 (C10H8) · (C9H7N) · CH3CN
• Authors of publication: Li-Min Chen; Qiong-Hua Jin; Liang Yang; Jia-Cui Dong; Shuang-Feng Deng; Pei-Zhou Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 145
• a: 13.4016 ± 0.0002 Å
• b: 20.2963 ± 0.0003 Å
• c: 25.1005 ± 0.0004 Å
• α: 90°
• β: 104.908 ± 0.001°
• γ: 90°
• Cell volume: 6597.6 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No