Information card for entry 4501295

Structure parameters

• Formula: C40 H52 N2 Ni O4
• Calculated formula: C40 H52 N2 Ni O4
• SMILES: c12ccc3cc(ccc3c2C=[N](CCCCCCCCC)[Ni]2(O1)[N](=Cc1c(ccc3cc(ccc13)O)O2)CCCCCCCCC)O
• 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: 14.479 ± 0.001 Å
• b: 7.486 ± 0.001 Å
• c: 18.681 ± 0.001 Å
• α: 90°
• β: 117.004 ± 0.002°
• γ: 90°
• Cell volume: 1804.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2071
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No