Information card for entry 1508211

Structure parameters

• Formula: C34 H62 B4 Fe N2 O2 Si4
• Calculated formula: C34 H62 B4 Fe N2 O2 Si4
• SMILES: [Fe]123(C#[O])(C#[O])B([B]1([B]2(B3N([Si](C)(C)C)[Si](C)(C)C)c1c(c(cc(c1C)C)C)C)c1c(c(cc(c1C)C)C)C)N([Si](C)(C)C)[Si](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: 9.1423 ± 0.0005 Å
• b: 13.2797 ± 0.0008 Å
• c: 18.333 ± 0.0011 Å
• α: 81.242 ± 0.002°
• β: 86.113 ± 0.002°
• γ: 78.661 ± 0.002°
• Cell volume: 2155.2 ± 0.2 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: 0.0701
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No