Information card for entry 8102399

Structure parameters

• Formula: C31 H31 Cl N8 Ni O8
• Calculated formula: C31 H31 Cl N8 Ni O8
• SMILES: [Ni]1234([O]=C(O1)c1ccncc1)[n]1c5ccccc5[nH]c1C[N]4(Cc1[n]2c2c([nH]1)cccc2)Cc1[n]3c2c([nH]1)cccc2.Cl(=O)(=O)(=O)[O-].OC.O
• Title of publication: Crystal structure of (isonicotinato-O,O')-[tris(2-benzimdazolyl-N,N',N''-methyl)amine-N]nickel(II) perchlorate — methanol — hydrate, [NiN(C24H21N6)(C6H4NO2)]ClO4 · CH3OH · H2O
• Authors of publication: Feng-Mei Nie; Zhen Li; Zhi-Yun Dong; Yong-Li Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 437
• a: 12.5278 ± 0.0002 Å
• b: 13.0415 ± 0.0002 Å
• c: 13.7119 ± 0.0003 Å
• α: 112.47 ± 0.0007°
• β: 106.894 ± 0.0009°
• γ: 105.362 ± 0.0008°
• Cell volume: 1792.83 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0845
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No