Information card for entry 4506431

Structure parameters

• Formula: C36 H25 F12 N6 Ni O0.5 P2
• Calculated formula: C36 H24 F12 N6 Ni O0.5 P2
• Title of publication: Supramolecular Selection in Molecular Alloys
• Authors of publication: Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 3906
• a: 37.3364 ± 0.0014 Å
• b: 15.7791 ± 0.0008 Å
• c: 12.1979 ± 0.0005 Å
• α: 90°
• β: 101.693 ± 0.004°
• γ: 90°
• Cell volume: 7037.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No