Information card for entry 8102601

Structure parameters

• Formula: C45 H43 N3 Ni O6
• Calculated formula: C45 H42 N3 Ni O6
• SMILES: [Ni]12(ON(=O)=O)(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([OH]CC)[NH]([C@H]([C@@H]([NH]2Cc1ccccc1)c1ccccc1)c1ccccc1)Cc1ccccc1
• Title of publication: Crystal structure of ethanolato-dibenzoylmethanato-(R,R-dibenzoylstilbenediamine)-nitratonickel(II), Ni(C2H5OH)(C15H11O2)(C28H26N2)(NO3)
• Authors of publication: Keiko Miyamoto; Tomoko Yajima; Ernst Horn; Yutaka Fukuda
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 161
• a: 12.115 ± 0.002 Å
• b: 13.496 ± 0.002 Å
• c: 12.524 ± 0.002 Å
• α: 90°
• β: 96.008 ± 0.002°
• γ: 90°
• Cell volume: 2036.5 ± 0.6 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.264
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No