Information card for entry 8107204

Structure parameters

• Formula: C27 H49 Cl N4 Ni O12
• Calculated formula: C27 H49 Cl N4 Ni O12
• Title of publication: Crystal structure of catena-poly[(5,5,7,12,12,14-hexamethyl -1,4,8,11-tetraazacyclotetradecane- κ 4 N,N′,Nʺ,N‴)nickel(II)-(μ2-perchlorato-κ 2 O:O′)] 3,5-dicarboxybenzoate – methanol (1/2), C27H49ClN4NiO12
• Authors of publication: Wang, Qiong; Ou, Guang-Chuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 745 - 747
• a: 11.18 ± 0.002 Å
• b: 12.32 ± 0.003 Å
• c: 12.754 ± 0.003 Å
• α: 98.263 ± 0.002°
• β: 97.524 ± 0.002°
• γ: 99.47 ± 0.002°
• Cell volume: 1693.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0524
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No