Information card for entry 2222406

Structure parameters

• Chemical name: (2-Carboxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5,7,12,12,14-hexamethyl- 1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) perchlorate monohydrate
• Formula: C24 H43 Cl N4 Ni O9
• Calculated formula: C24 H43 Cl N4 Ni O9
• Title of publication: (2-Carboxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) perchlorate monohydrate
• Authors of publication: Ou, Guang-Chuan; Zhang, Min; Yuan, Xian-You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m726
• a: 9.7941 ± 0.0012 Å
• b: 17.354 ± 0.002 Å
• c: 17.619 ± 0.002 Å
• α: 90°
• β: 102.105 ± 0.002°
• γ: 90°
• Cell volume: 2928.1 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes