Information card for entry 2013715

Structure parameters

• Chemical name: trans-cyano(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) bis(perchlorate) hydrate
• Formula: C12 H29 Cl2 Co N6 O9
• Calculated formula: C12 H29 Cl2 Co N6 O9
• Title of publication: <i>trans</i>-Cyano(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate) hydrate and <i>trans</i>-hydroxo(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate)
• Authors of publication: Bernhardt, Paul V.; Macpherson, Brendan P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m533 - m536
• a: 7.4158 ± 0.0005 Å
• b: 8.9373 ± 0.0008 Å
• c: 16.228 ± 0.002 Å
• α: 90°
• β: 100.218 ± 0.007°
• γ: 90°
• Cell volume: 1058.49 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes