Information card for entry 2228116

Structure parameters

• Chemical name: (2-Aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(<i>rac</i>- 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate
• Formula: C23 H44 Cl N5 Ni O7
• Calculated formula: C23 H44 Cl N5 Ni O7
• Title of publication: (2-Aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate monohydrate
• Authors of publication: Ou, Guang-Chuan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1295 - m1296
• a: 9.6452 ± 0.0005 Å
• b: 21.535 ± 0.0011 Å
• c: 13.5083 ± 0.0007 Å
• α: 90°
• β: 90.784 ± 0.001°
• γ: 90°
• Cell volume: 2805.5 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes