Information card for entry 8102850

Structure parameters

• Chemical name: fac-[(tricarbonyl){bis-(diphenylphosphino)1,2-benzene}manganese(I) bromide
• Formula: C33 H24 Br Mn O3 P2
• Calculated formula: C33 H24 Br Mn O3 P2
• SMILES: Br[Mn]1([P](c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Crystal structure of tricarbonylbis[1,2-(diphenylphosphino)benzene]manganese(I) bromide, Mn(CO)3(C30H24P2)Br
• Authors of publication: Hiroaki Horikawa; Ernst Horn; Akio Urushiyama; Keiko Miyamoto
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 687
• a: 17.156 ± 0.001 Å
• b: 11.2568 ± 0.0008 Å
• c: 17.487 ± 0.001 Å
• α: 90°
• β: 117.087 ± 0.001°
• γ: 90°
• Cell volume: 3006.7 ± 0.3 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No