Information card for entry 7704768

Structure parameters

• Formula: C30 H56 B Mn P4
• Calculated formula: C30 H56 B Mn P4
• SMILES: [Mn]123([H][B]([H]1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([P](C)(C)CC[P]2(C)C)[P](C)(C)CC[P]3(C)C
• 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: 10.068 ± 0.003 Å
• b: 12.286 ± 0.003 Å
• c: 13.967 ± 0.003 Å
• α: 90.611 ± 0.004°
• β: 101.87 ± 0.005°
• γ: 104.056 ± 0.005°
• Cell volume: 1636.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No