Information card for entry 4327237

Structure parameters

• Formula: C18 H20 B2 F6 Mn N12 Sb
• Calculated formula: C18 H20 B2 F6 Mn N12 Sb
• SMILES: c1cc[n]2n1[BH]1n3ccc[n]3[Mn]342([n]2cccn2[BH](n2ccc[n]32)n2ccc[n]42)[n]2cccn12.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Synthesis, Structure, and Properties of Low-Spin Manganese(III)-Poly(pyrazolyl)borate Complexes
• Authors of publication: Ferdaus Hossain; Matthew A. Rigsby; Cole T. Duncan; Paul L. Milligan; Richard L. Lord; Mu-Hyun Baik; Franklin A. Schultz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2596 - 2603
• a: 7.5518 ± 0.0002 Å
• b: 8.871 ± 0.0002 Å
• c: 9.9838 ± 0.0003 Å
• α: 99.097 ± 0.001°
• β: 91.782 ± 0.001°
• γ: 108.516 ± 0.001°
• Cell volume: 623.87 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No