Information card for entry 4308183

Structure parameters

• Chemical name: Bis(phenyltris(1-methyl-imidazol-2-ylidene)borato)maganese(iv) triflate
• Formula: C8.44 H8.89 B0.44 F1.33 Mn0.22 N2.67 O1.33 S0.44
• Calculated formula: C8.44444 H8.88889 B0.444444 F1.33333 Mn0.222222 N2.66667 O1.33333 S0.444444
• Title of publication: Oxidation of the Tris(carbene)borate Complex PhB(MeIm)3MnI(CO)3 to MnIV[PhB(MeIm)3]2(OTf)2
• Authors of publication: Adam P. Forshaw; Ranko P. Bontchev; Jeremy M. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3792 - 3794
• a: 12.8947 ± 0.0005 Å
• b: 13.5128 ± 0.0005 Å
• c: 13.9914 ± 0.0005 Å
• α: 90°
• β: 90 ± 0.004°
• γ: 64.28 ± 0.002°
• Cell volume: 2196.38 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 1 21/b
• Hall space group symbol: -P 2bc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No