Information card for entry 4346841

Structure parameters

• Formula: C199 H231 B2 F8 Mn4 N16 O2
• Calculated formula: C199 H231 B2 F8 Mn4 N16 O2
• Title of publication: Experimental and Theoretical Investigation of a Series of Novel Dimanganese(III) μ-Hydroxo Bisporphyrins: Magneto-Structural Correlation and Effect of Metal Spin on Porphyrin Core Deformation.
• Authors of publication: Sil, Debangsu; Bhowmik, Susovan; Khan, Firoz Shah Tuglak; Rath, Sankar Prasad
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3239 - 3251
• a: 14.656 ± 0.005 Å
• b: 15.833 ± 0.005 Å
• c: 23.555 ± 0.005 Å
• α: 96.246 ± 0.005°
• β: 106.556 ± 0.005°
• γ: 113.735 ± 0.005°
• Cell volume: 4638 ± 2 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: 0.1238
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No