Information card for entry 4327238

Structure parameters

• Formula: C30 H44 B2 F6 Mn N12 Sb
• Calculated formula: C30 H44 B2 F6 Mn N12 Sb
• SMILES: [F-][Sb](F)(F)(F)(F)F.[Mn]1234([n]5c(cc(C)n5[BH](n5c(cc([n]15)C)C)n1[n]3c(cc1C)C)C)[n]1c(cc(C)n1[BH](n1c(cc([n]21)C)C)n1[n]4c(cc1C)C)C
• 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: 10.4142 ± 0.0004 Å
• b: 14.1854 ± 0.0006 Å
• c: 12.4063 ± 0.0005 Å
• α: 90°
• β: 94.27 ± 0.001°
• γ: 90°
• Cell volume: 1827.69 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No