Information card for entry 4084172

Structure parameters

• Formula: C19 H20 B Cr Mn O4
• Calculated formula: C19 H20 B Cr Mn O4
• SMILES: [Cr]123456([Mn]789%10(B1C(C)(C)C)(C#[O])(C#[O])[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61
• Title of publication: A Simple Decarbonylative Route to Heterodinuclear Alkylborylene Complexes
• Authors of publication: Braunschweig, Holger; Dewhurst, Rian D.; Kramer, Thomas; Siedler, Eva
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 14
• Pages of publication: 3877
• a: 7.855 ± 0.0006 Å
• b: 8.4231 ± 0.0007 Å
• c: 15.5019 ± 0.0015 Å
• α: 99.83 ± 0.003°
• β: 95.706 ± 0.003°
• γ: 115.083 ± 0.002°
• Cell volume: 898.17 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No