Information card for entry 8106155

Structure parameters

• Formula: C28 H50 Cl2 N4 Ni O9
• Calculated formula: C28 H50 Cl2 N4 Ni O9
• Title of publication: Crystal structure of (2-(chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylato–κ2 O,O′)(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, Ni(C16H36N4)(C12H12O4Cl)ClO4⋅H2O
• Authors of publication: Ou, Guang-Chuan; Jia, Guo-Kai; Zeng, Fei; Tan, Ying-zhi; Wang, Qiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 369 - 370
• a: 10.333 ± 0.004 Å
• b: 26.305 ± 0.009 Å
• c: 12.64 ± 0.005 Å
• α: 90°
• β: 102.421 ± 0.004°
• γ: 90°
• Cell volume: 3355 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No