Information card for entry 4350365

Structure parameters

• Formula: C27 H53 B Cl0.98 Mn0.98 P3 Tl0.02
• Calculated formula: C27 H53 B Cl0.9832 Mn0.9832 P3 Tl0.0168
• 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: 14.493 ± 0.002 Å
• b: 12.928 ± 0.002 Å
• c: 34.85 ± 0.005 Å
• α: 90°
• β: 100.344 ± 0.003°
• γ: 90°
• Cell volume: 6423.6 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No