Information card for entry 4502129

Structure parameters

• Formula: C34 H44 N8 Ni2 O10
• Calculated formula: C34 H44 N8 Ni2 O10
• SMILES: CC1=CC(C)=[N]2CC[N]3[Ni]2([n]2ccc(cc2)c2cc[n](cc2)[Ni]245([N](=C(C=C(C)O4)C)CC[N]2=C(C)C=C(O5)C)ON(=O)=O)(O1)(OC(=CC=3C)C)ON(=O)=O
• 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: 7.5202 ± 0.0009 Å
• b: 8.3259 ± 0.0011 Å
• c: 15.867 ± 0.002 Å
• α: 78.408 ± 0.007°
• β: 82.447 ± 0.01°
• γ: 70.757 ± 0.006°
• Cell volume: 916.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No