Information card for entry 4309524

Structure parameters

• Formula: C45 H71 B Cu N3 P2
• Calculated formula: C45 H71 B Cu N3 P2
• Title of publication: Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives
• Authors of publication: Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6256 - 6264
• a: 14.591 ± 0.009 Å
• b: 14.19 ± 0.008 Å
• c: 21.788 ± 0.012 Å
• α: 90°
• β: 98.372 ± 0.011°
• γ: 90°
• Cell volume: 4463 ± 4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1217
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No