Information card for entry 4308184

Structure parameters

• Chemical name: mu-dibromobis(tert-butylnitrile)hexacarbonyldimanganese(0)
• Formula: C8 H9 Br Mn N O3
• Calculated formula: C8 H9 Br Mn N O3
• 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: 9.5832 ± 0.0005 Å
• b: 11.4151 ± 0.0005 Å
• c: 10.5034 ± 0.0005 Å
• α: 90°
• β: 95.603 ± 0.002°
• γ: 90°
• Cell volume: 1143.51 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0856
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No