Information card for entry 2235500

Structure parameters

• Chemical name: Hexakis(μ~2~-4-amino-3,5-dimethyl-4<i>H</i>- 1,2,4-triazole)hexaaquatricobalt(II) naphthalene-1,5-disulfonate tetrachloride
• Formula: C34 H66 Cl4 Co3 N24 O12 S2
• Calculated formula: C34 H66.006 Cl4 Co3 N24 O12 S2
• Title of publication: Hexakis(μ~2~-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole)hexaaquatricobalt(II) naphthalene-1,5-disulfonate tetrachloride
• Authors of publication: Gu, Zhi-Guo; Wang, Bao-Xiang; Pang, Chun-Yan; Bao, Fei-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m862
• a: 11.1641 ± 0.0004 Å
• b: 12.2744 ± 0.0005 Å
• c: 13.2265 ± 0.0005 Å
• α: 106.924 ± 0.002°
• β: 99.622 ± 0.003°
• γ: 103.452 ± 0.002°
• Cell volume: 1631.79 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes