Information card for entry 8105388

Structure parameters

• Formula: C23 H44 Cl N5 Ni O7
• Calculated formula: C23 H44 Cl N5 Ni O7
• Title of publication: Crystal structure of (4-aminobenzoato-κ2 O,O′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N,N′,N′′,N′′′]nickel(II) perchlorate monohydrate, C23H44ClN5NiO7
• Authors of publication: Ou, Guang-Chuan; Zhou, Qiang; Wang, Qiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1095 - 1097
• a: 14.4994 ± 0.0016 Å
• b: 19.799 ± 0.002 Å
• c: 20.04 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5753 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No