Information card for entry 4303727

Structure parameters

• Formula: C34 H47 Co2 N13 S4
• Calculated formula: C34 H47 Co2 N13 S4
• Title of publication: Unprecedent Isolation of a Mixture of Conformational and Linkage Isomers in a Thiosemicarbazone Cobalt Mesocate
• Authors of publication: Rosa Pedrido; María J. Romero; Ana M. González-Noya; Manuel R. Bermejo; Miguel Martínez-Calvo; Guillermo Zaragoza
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10862 - 10864
• a: 11.678 ± 0.0002 Å
• b: 12.6479 ± 0.0002 Å
• c: 14.2948 ± 0.0003 Å
• α: 86.619 ± 0.001°
• β: 84.387 ± 0.001°
• γ: 74.315 ± 0.001°
• Cell volume: 2021.84 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No