Information card for entry 4501040

Structure parameters

• Formula: C115 H113 B3 Cu3 F12 N9 O4 P3
• Calculated formula: C115 H113 B3 Cu3 F12 N9 O4 P3
• 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: 19.044 ± 0.002 Å
• b: 23.6112 ± 0.0008 Å
• c: 26.174 ± 0.004 Å
• α: 90°
• β: 94.589 ± 0.01°
• γ: 90°
• Cell volume: 11731 ± 2 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections: 0.3106
• Weighted residual factors for significantly intense reflections: 0.282
• Weighted residual factors for all reflections included in the refinement: 0.3106
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No