Information card for entry 8103020

Structure parameters

• Chemical name: bis[μ-bis(diphenylphosphino)methane]- (μ-chloro)-quinolinechlorodicopper(I)}-bis(quinoline)hydrate, [Cu~2~(Ph~2~PCH~2~PPh~2~)~2~(C~9~H~7~N)Cl~2~].(C~9~H~7~N)~2~.H~2~O
• Formula: C77 H67 Cl2 Cu2 N3 O P4
• Calculated formula: C77 H67 Cl2 Cu2 N3 O P4
• Title of publication: Crystal structure of bis[m-bis(diphenylphosphino)methane]-(m-chloro)-quinolinechlorodicopper(I) - quinoline - water (1:2:1), [Cu2(CH2(P(C6H5)2)2)2(C9H7N)Cl2] · (C9H7N)2 · H2O
• Authors of publication: Qiong-Hua Jin; Li-Min Chen; Jia-Cui Dong; Hong-Wei Gao; Liang Yang; 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: 135
• a: 9.9627 ± 0.0001 Å
• b: 14.6883 ± 0.0002 Å
• c: 24.566 ± 0.0004 Å
• α: 76.309 ± 0.001°
• β: 81.592 ± 0.001°
• γ: 76.188 ± 0.001°
• Cell volume: 3376.36 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1184
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No