Information card for entry 4501045

Structure parameters

• Formula: C50 H42 Cl12 Cu F6 N2 P3
• Calculated formula: C49.327 H41.327 Cl9.981 Cu F5.358 N2 P2.893
• 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: 12.8791 ± 0.0015 Å
• b: 15.598 ± 0.003 Å
• c: 16.47 ± 0.002 Å
• α: 63.679 ± 0.01°
• β: 79.279 ± 0.012°
• γ: 80.168 ± 0.014°
• Cell volume: 2899.2 ± 0.8 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.1808
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections: 0.2729
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.2729
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No