Information card for entry 4313011

Structure parameters

• Formula: C39.25 H45 Cl Mn2 N5 O10.25
• Calculated formula: C39.25 H43 Cl Mn2 N5 O10.25
• Title of publication: Binuclear Manganese Compounds of Potential Biological Significance. 1. Syntheses and Structural, Magnetic, and Electrochemical Properties of Dimanganese(II) and -(II,III) Complexes of a Bridging Unsymmetrical Phenolate Ligand
• Authors of publication: Lionel Dubois; Dao-Feng Xiang; Xian-Shi Tan; Jacques Pécaut; Peter Jones; Stéphane Baudron; Laurent Le Pape; Jean-Marc Latour; Carole Baffert; Sylvie Chardon-Noblat; Marie-Noëlle Collomb; Alain Deronzier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 750 - 760
• a: 10.9215 ± 0.0006 Å
• b: 20.2318 ± 0.0012 Å
• c: 19.1354 ± 0.0012 Å
• α: 90°
• β: 97.531 ± 0.001°
• γ: 90°
• Cell volume: 4191.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1386
• Weighted residual factors for significantly intense reflections: 0.1224
• Goodness-of-fit parameter for all reflections: 0.974
• Goodness-of-fit parameter for significantly intense reflections: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No