Information card for entry 4120599

Structure parameters

• Common name: MnCo
• Formula: C21 H24 Cl Co0.998 Mn1.002 N7
• Calculated formula: C21 H24 Cl Co0.998 Mn1.002 N7
• Title of publication: Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.
• Authors of publication: Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 5
• Pages of publication: 1842 - 1855
• a: 9.3012 ± 0.0008 Å
• b: 12.4519 ± 0.0011 Å
• c: 18.5177 ± 0.0016 Å
• α: 90°
• β: 98.632 ± 0.002°
• γ: 90°
• Cell volume: 2120.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No