Information card for entry 4346840

Structure parameters

• Formula: C84 H101 Cl Mn2 N8 O5
• Calculated formula: C84 H101 Cl Mn2 N8 O5
• 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: 15.0609 ± 0.0011 Å
• b: 15.1516 ± 0.0011 Å
• c: 18.4813 ± 0.0013 Å
• α: 91.405 ± 0.002°
• β: 109.529 ± 0.001°
• γ: 109.816 ± 0.002°
• Cell volume: 3693.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No