Information card for entry 8107270

Structure parameters

• Formula: C31 H18 N6 Ni O7
• Calculated formula: C31 H18 N6 Ni O7
• Title of publication: Crystal structure of (bis(1,10-phenanthroline-κ 2 N,N′))-(3,5-dinitrosalicylato-κ 2 O,O′)nickel(II), C31H18N6NiO7
• Authors of publication: Tang, Zhiwei; Wu, Dewu; Wen, Decai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 981 - 983
• a: 7.6619 ± 0.0015 Å
• b: 18.47 ± 0.004 Å
• c: 19.113 ± 0.004 Å
• α: 90°
• β: 90.53 ± 0.03°
• γ: 90°
• Cell volume: 2704.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1042
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No