Information card for entry 4502128

Structure parameters

• Formula: C34 H44 Cl2 N6 Ni2 O12
• Calculated formula: C34 H44 Cl2 N6 Ni2 O12
• SMILES: C1C[N]2=C(C)C=C(O[Ni]32([n]2ccc(c4cc[n](cc4)[Ni]456([N](=C(C=C(C)O5)C)CC[N]4=C(C)C=C(O6)C)OCl(=O)(=O)=O)cc2)(OCl(=O)(=O)=O)[N]1=C(C=C(C)O3)C)C
• Title of publication: Auxiliary Ligand-Dependent Assembly of Several Ni/Ni−Cd Compounds with N2O2Donor Tetradentate Symmetrical Schiff Base Ligand
• Authors of publication: Ge, Ying-Ying; Li, Guo-Bi; Fang, Hua-Cai; Zhan, Xu-Lin; Gu, Zhi-Gang; Chen, Jin-Hao; Sun, Feng; Cai, Yue-Peng; Thallapally, Praveen K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4987
• a: 7.8672 ± 0.0003 Å
• b: 8.5279 ± 0.0001 Å
• c: 16.0361 ± 0.0004 Å
• α: 77.565 ± 0.002°
• β: 79.599 ± 0.003°
• γ: 71.872 ± 0.002°
• Cell volume: 990.98 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No