Information card for entry 8104968

Structure parameters

• Formula: C30 H26 B2 F18 Mn N12
• Calculated formula: C30 H26 B2 F18 Mn N12
• Title of publication: Crystal structure of bis{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl)borato-κN 3}manganese(II), C30H26B2F18MnN12
• Authors of publication: Ikarugi, Riko; Fujisawa, Kiyoshi; Tiekink, Edward R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 85 - 87
• a: 10.5322 ± 0.0003 Å
• b: 10.6475 ± 0.0004 Å
• c: 10.989 ± 0.0004 Å
• α: 111.755 ± 0.003°
• β: 99.1 ± 0.002°
• γ: 112.74 ± 0.003°
• Cell volume: 988.07 ± 0.08 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No