Information card for entry 4501298

Structure parameters

• Formula: C53 H78 N2 Ni O5
• Calculated formula: C53 H78 N2 Ni O5
• Title of publication: Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks
• Authors of publication: Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 5113
• a: 9.437 ± 0.001 Å
• b: 11.538 ± 0.001 Å
• c: 11.999 ± 0.001 Å
• α: 105.351 ± 0.001°
• β: 104.803 ± 0.002°
• γ: 93.052 ± 0.002°
• Cell volume: 1207.79 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No