Information card for entry 4340388

Structure parameters

• Formula: C41 H64 B2 Cl2 Mn2 N8 O3
• Calculated formula: C41 H64 B2 Cl2 Mn2 N8 O3
• Title of publication: A chloro-bridged dimanganese complex and an oxo-bridged dititanium complex of a ditopic bis(pyrazol-1-yl)borate ligand.
• Authors of publication: Bieller, Susanne; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 9489 - 9496
• a: 12.9081 ± 0.0006 Å
• b: 13.5164 ± 0.0008 Å
• c: 13.9807 ± 0.0007 Å
• α: 90°
• β: 106.833 ± 0.004°
• γ: 90°
• Cell volume: 2334.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No