Information card for entry 4313199

Structure parameters

• Chemical name: Compound 2
• Formula: C21 H20 B Mn2 N O4
• Calculated formula: C21 H20 B Mn2 N O4
• SMILES: [Mn]12345([Mn]6789(B1N1C=CCC=C1)(C#[O])(C#[O])[c]1([cH]6[cH]7[cH]8[cH]91)C)(C#[O])(C#[O])[c]1([cH]2[cH]3[cH]4[cH]51)C
• Title of publication: Unprecedented Reactivity of the Bridged Borylene Complexes [μ-BCl{(η5-C5H4Me)Mn(CO)2}2] toward Pyridine
• Authors of publication: Holger Braunschweig; Miriam Colling; Chunhua Hu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 941 - 943
• a: 14.7942 ± 0.0015 Å
• b: 10.644 ± 0.002 Å
• c: 12.634 ± 0.003 Å
• α: 90°
• β: 96.55 ± 0.03°
• γ: 90°
• Cell volume: 1976.5 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1023
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No