Information card for entry 1508209

Structure parameters

• Formula: C19 H31 B2 Fe N O3 Si2
• Calculated formula: C19 H31 B2 Fe N O3 Si2
• SMILES: [Fe]1(C#[O])(C#[O])(C#[O])B(B1N([Si](C)(C)C)[Si](C)(C)C)c1c(c(cc(c1C)C)C)C
• Title of publication: Controlled homocatenation of boron on a transition metal.
• Authors of publication: Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 563 - 567
• a: 8.7118 ± 0.0003 Å
• b: 9.6694 ± 0.0003 Å
• c: 16.1522 ± 0.0006 Å
• α: 91.546 ± 0.002°
• β: 96.857 ± 0.002°
• γ: 116.772 ± 0.001°
• Cell volume: 1201.07 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No