Information card for entry 8106595

Structure parameters

• Formula: C29 H28 Cu N3 O P
• Calculated formula: C29 H28 Cu N3 O P
• Title of publication: Crystal structure of μ-1,4-bis(diphenylphosphine)butane-2,9-dimethyl-1,10-phenanthroline-κ2 N:N′-bis(cyano-κC)dicopper(I)]-water, C58H56Cu2N6O2P2
• Authors of publication: Zhang, Yan-Ru; Li, Zhi-Qiang; Liu, Min; Bi, Kai-Lun; Jin, Qiong-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 533 - 535
• a: 12.0546 ± 0.0009 Å
• b: 13.1669 ± 0.001 Å
• c: 16.7151 ± 0.0012 Å
• α: 90°
• β: 101.845 ± 0.002°
• γ: 90°
• Cell volume: 2596.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No