Information card for entry 1516905

Structure parameters

• Formula: C16 H26 N4 Ni O8
• Calculated formula: C16 H26 N4 Ni O8
• SMILES: [Ni]1234(OC(=O)C[C@@H]([N]54CC[NH2+]CC5)C(=O)O1)OC(=O)C[C@H]([N]13CC[NH2+]CC1)C(=O)O2
• 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: 8.884 ± 0.003 Å
• b: 12.611 ± 0.004 Å
• c: 15.885 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1779.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No