Information card for entry 7035306

Structure parameters

• Formula: C46 H50 Cl Mn2 N9 O8
• Calculated formula: C46 H50 Cl Mn2 N9 O8
• Title of publication: Tuning of exchange coupling by the Mn-O distance and phenoxido bridging angle: an experimental and theoretical study of the family of Mn(iii) dimers with salen type ligands.
• Authors of publication: Seth, Piya; Giri, Sanjib; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12863 - 12870
• a: 12.4078 ± 0.0005 Å
• b: 12.6281 ± 0.0005 Å
• c: 17.3253 ± 0.0007 Å
• α: 78.688 ± 0.002°
• β: 78.296 ± 0.002°
• γ: 63.082 ± 0.002°
• Cell volume: 2353.23 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No