Information card for entry 4501296

Structure parameters

• Formula: C42 H56 N2 Ni O4
• Calculated formula: C42 H56 N2 Ni O4
• SMILES: c12O[Ni]3([N](=Cc2c2c(cc1)cc(cc2)O)CCCCCCCCCC)[N](=Cc1c(ccc2cc(ccc12)O)O3)CCCCCCCCCC
• 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: 9.377 ± 0.001 Å
• b: 9.594 ± 0.001 Å
• c: 11.204 ± 0.001 Å
• α: 103.73 ± 0.001°
• β: 93.568 ± 0.002°
• γ: 108.922 ± 0.002°
• Cell volume: 915.54 ± 0.16 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: 0.0561
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No