Information card for entry 1516904

Structure parameters

• Formula: C22 H30 N6 Ni O9
• Calculated formula: C22 H30 N6 Ni O9
• SMILES: [Ni]12(OC(=O)c3[n]1cc(cc3)C(=O)[O-])(OC(=O)c1[n]2cc(cc1)C(=O)[O-])([NH]1CC[NH2+]CC1)[NH]1CC[NH2+]CC1.O
• Title of publication: Synthesis, structure and surface photo-electric property of Ni(II) complexes
• Authors of publication: Jing Jin; Yu Ding; Yuan-Yuan Gong; Sheng-Mei Cong; Yu-Xian Chi; Guang-Ning Zhang; Shu-Yun Niu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 227 - 235
• a: 22.317 ± 0.003 Å
• b: 12.2177 ± 0.0017 Å
• c: 9.058 ± 0.0012 Å
• α: 90°
• β: 108.766 ± 0.002°
• γ: 90°
• Cell volume: 2338.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No