Information card for entry 4347443

Structure parameters

• Common name: [K(222)][Mn(TMP)(CN)]1.63(C6H5Cl)
• Formula: C84.77 H96.15 Cl1.63 K Mn N7 O6
• Calculated formula: C84.774 H96.145 Cl1.629 K Mn N7 O6
• Title of publication: Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?
• Authors of publication: He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5871 - 5879
• a: 13.2231 ± 0.0006 Å
• b: 24.3062 ± 0.0012 Å
• c: 24.7602 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7958 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1493
• 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: No
• Has Fobs: No