Information card for entry 7704762

Structure parameters

• Formula: C12 H36 B Mn P4
• Calculated formula: C12 H36 B Mn P4
• SMILES: [Mn]123([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)[H][BH2][H]3
• Title of publication: Reactions of [(dmpe)₂MnH(C₂H₄)]: synthesis and characterization of manganese(i) borohydride and hydride complexes.
• Authors of publication: Price, Jeffrey S.; DeJordy, Declan M.; Emslie, David J. H.; Britten, James F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 29
• Pages of publication: 9983 - 9994
• a: 11.8683 ± 0.0005 Å
• b: 11.8704 ± 0.0005 Å
• c: 28.4192 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4003.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No