Information card for entry 8105282

Structure parameters

• Formula: C26 H27 Cl N8 Ni O7
• Calculated formula: C26 H27 Cl N8 Ni O7
• SMILES: [Ni]1234([O]=NO1)[n]1c5ccccc5[nH]c1C[N]2(Cc1[n]3c2ccccc2[nH]1)Cc1[nH]c2c([n]41)cccc2.Cl(=O)(=O)(=O)[O-].OCC
• Title of publication: Crystal structure of {tris((1H-benzo[d]imidazol-2-yl)methyl)amine-κ4 N,N′,N′′,N′′′}-(nitrito-κ2 O,O′)nickel(II) perchlorate – ethanol (1/1), C26H27ClN8NiO7
• Authors of publication: Li, Xin-Lun; Luo, Zhong-Ping; Zhang, Jun-Chao; Nie, Feng-Mei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 767 - 769
• a: 9.893 ± 0.002 Å
• b: 11.503 ± 0.002 Å
• c: 13.295 ± 0.003 Å
• α: 78.77 ± 0.03°
• β: 70.52 ± 0.03°
• γ: 83.4 ± 0.03°
• Cell volume: 1397 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 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: 0.0449
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No