Information card for entry 4312991

Structure parameters

• Formula: C54 H48 N4 Ni O6
• Calculated formula: C54 H48 N4 Ni O6
• SMILES: [Ni]123N(C(=O)[C@@H]([N]3=C(c3ccc(cc3)OC)c3ccc(cc3)OC)Cc3ccccc3)c3c(N2C(=O)[C@@H]([N]1=C(c1ccc(cc1)OC)c1ccc(cc1)OC)Cc1ccccc1)cccc3
• Title of publication: Optically Active 4- and 5-Coordinate Transition Metal Complexes of Bifurcated Dipeptide Schiff Bases
• Authors of publication: Robin Polt; Brian D. Kelly; Brian D. Dangel; Udaya Bhaskar Tadikonda; Regina E. Ross; Arnold M. Raitsimring; Andrei V. Astashkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 566 - 574
• a: 12.4041 ± 0.0008 Å
• b: 13.5171 ± 0.0009 Å
• c: 26.1586 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4385.9 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No