Information card for entry 4350371

Structure parameters

• Formula: C41 H63 B Mn N P3
• Calculated formula: C41 H63 B Mn N 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)N1C2c3ccccc3C1c1ccccc21
• 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: 10.4294 ± 0.0009 Å
• b: 16.812 ± 0.001 Å
• c: 23.393 ± 0.002 Å
• α: 90°
• β: 97.476 ± 0.001°
• γ: 90°
• Cell volume: 4066.8 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 2.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No