Information card for entry 7704763

Structure parameters

• Formula: C20 H48 B Mn P4
• Calculated formula: C20 H48 B Mn P4
• SMILES: [Mn]123([H][B]4([H]1)C1CCCC4CCC1)([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: 11.3252 ± 0.0007 Å
• b: 14.1954 ± 0.0009 Å
• c: 16.8724 ± 0.001 Å
• α: 90°
• β: 103.169 ± 0.003°
• γ: 90°
• Cell volume: 2641.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No