Information card for entry 4502127

Structure parameters

• Formula: C14 H26 Cl N5 O7
• Calculated formula: C14 H26 Cl N5 O7
• SMILES: Cl(=O)(=O)(=O)[O-].O=N(=O)[O-].N1C(=CC(=[NH+]CC1)C)C.[NH+]1=C(C)C=C(NCC1)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: 7.2403 ± 0.0006 Å
• b: 8.5435 ± 0.0008 Å
• c: 8.9865 ± 0.0007 Å
• α: 68.722 ± 0.006°
• β: 79.451 ± 0.006°
• γ: 81.852 ± 0.007°
• Cell volume: 507.51 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No