Information card for entry 4502071

Structure parameters

• Formula: C18 H18 N14 Ni O6
• Calculated formula: C18 H18 N14 Ni O6
• SMILES: c1[nH]cc2[n]1[Ni]13([n]4c[nH]cc4c4c[nH]c[n]14)([n]1c[nH]cc21)[n]1c[nH]cc1c1c[nH]c[n]31.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Supramolecular Architectures and Hydrogen-Bond Directionalities of 4,4′-Biimidazole Metal Complexes Depending on Coordination Geometries
• Authors of publication: Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4898
• a: 17.373 ± 0.002 Å
• b: 13.845 ± 0.002 Å
• c: 10.509 ± 0.001 Å
• α: 90 ± 0.002°
• β: 98.052 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 2502.8 ± 0.5 ų
• Cell temperature: 150.2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.689
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No