Information card for entry 7111113

Structure parameters

• Formula: C80 H72 N6 Ni O6
• Calculated formula: C80 H60 N6 Ni O6
• Title of publication: Selective formation of rectangular grid coordination polymers with grid dimensions 10 ×15, 10 ×20 and 15 ×20 Å
• Authors of publication: Biradha, Kumar; Fujita, Makoto
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 15
• a: 39.824 ± 0.003 Å
• b: 15.584 ± 0.0009 Å
• c: 11.2915 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7007.7 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No