Information card for entry 4350369

Structure parameters

• Formula: C34 H60 B Mn P3
• Calculated formula: C34 H60 B Mn P3
• SMILES: [Mn]12([P](C[B](c3ccccc3)(C[P]1(C(C)C)C(C)C)C[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)Cc1ccccc1
• Title of publication: Pseudotetrahedral manganese complexes supported by the anionic tris(phosphino)borate ligand [PhBP(iPr)3].
• Authors of publication: Lu, Connie C.; Peters, Jonas C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8597 - 8607
• a: 9.412 ± 0.0006 Å
• b: 11.8746 ± 0.0008 Å
• c: 16.736 ± 0.001 Å
• α: 90°
• β: 105.605 ± 0.001°
• γ: 90°
• Cell volume: 1801.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.526
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No