Information card for entry 4517094

Structure parameters

• Formula: C12 H16 Cl2 N8 Ni O2
• Calculated formula: C12 H16 Cl2 N8 Ni O2
• SMILES: c12c3[nH]cc[n]3[Ni]3([n]1cc[nH]2)([n]1c(c2[nH]cc[n]32)[nH]cc1)([OH2])[OH2].[Cl-].[Cl-]
• Title of publication: Syntheses and Crystal Structures of Metal Complexes with 2,2′-Biimidazole-like Ligand and Chloride: Investigation of X−H···Cl (X = N, O, and C) Hydrogen Bonding and Cl−π (imidazolyl) Interactions
• Authors of publication: Zhong, Yong-Rui; Cao, Man-Li; Mo, Hao-Jun; Ye, Bao-Hui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2282
• a: 8.188 ± 0.005 Å
• b: 8.672 ± 0.005 Å
• c: 14.513 ± 0.006 Å
• α: 90°
• β: 121.31 ± 0.02°
• γ: 90°
• Cell volume: 880.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No