Information card for entry 4501039

Structure parameters

• Formula: C35 H31 B Cl4 Cu F4 N3 P
• Calculated formula: C35 H31 B Cl4 Cu F4 N3 P
• Title of publication: 1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers
• Authors of publication: Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 4313
• a: 11.0271 ± 0.0015 Å
• b: 17.337 ± 0.002 Å
• c: 19.9735 ± 0.0016 Å
• α: 90°
• β: 102.459 ± 0.008°
• γ: 90°
• Cell volume: 3728.5 ± 0.7 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 8
• 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: 0.0978
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections: 0.1434
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No