Information card for entry 8104747

Structure parameters

• Formula: C36 H82 Cl2 N8 Ni2 O15
• Calculated formula: C36 H82 Cl2 N8 Ni2 O15
• Title of publication: Crystal structure of [(μ2-succinato κ3 O,O′:O′′)-bis-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)]dinickel(II)] diperchlorate, dihydrate C36H82Cl2N8Ni2O15
• Authors of publication: Li, Wen-Yi; Ou, Guang-Chuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 491 - 493
• a: 17.657 ± 0.003 Å
• b: 16.047 ± 0.003 Å
• c: 18.346 ± 0.003 Å
• α: 90°
• β: 109.062 ± 0.004°
• γ: 90°
• Cell volume: 4913.2 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No