Information card for entry 7016664

Structure parameters

• Formula: C12 H16 B Cr N O3
• Calculated formula: C12 H16 B Cr N O3
• SMILES: [Cr]12345(C#[O])(C#[O])(C#[O])[c]6([cH]1[cH]2[cH]3[cH]4[cH]56)C[N](C)(C)[BH3]
• Title of publication: A homobimetallic complex of chromium(0) with a σ-borane component.
• Authors of publication: Bera, Barun; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10592 - 10597
• a: 9.782 ± 0.009 Å
• b: 10.595 ± 0.01 Å
• c: 13.653 ± 0.013 Å
• α: 90°
• β: 93.064 ± 0.016°
• γ: 90°
• Cell volume: 1413 ± 2 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: 0.071
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No