Information card for entry 4346842

Structure parameters

• Formula: C86 H100 F6 Mn2 N8 O P
• Calculated formula: C86 H100 F6 Mn2 N8 O P
• 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: 14.9243 ± 0.0011 Å
• b: 27.767 ± 0.002 Å
• c: 19.276 ± 0.0015 Å
• α: 90°
• β: 105.733 ± 0.002°
• γ: 90°
• Cell volume: 7688.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No