Information card for entry 1508210

Structure parameters

• Formula: C36 H62 B4 Fe2 N2 O4 Si4
• Calculated formula: C36 H62 B4 Fe2 N2 O4 Si4
• SMILES: [Fe]123([Fe]4(C#[O])(C#[O])([B]2(c2c(c(cc(c2C)C)C)C)B1N([Si](C)(C)C)[Si](C)(C)C)B(N([Si](C)(C)C)[Si](C)(C)C)[B]34c1c(c(cc(c1C)C)C)C)(C#[O])C#[O]
• 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: 27.394 ± 0.004 Å
• b: 9.3733 ± 0.0013 Å
• c: 21.725 ± 0.003 Å
• α: 90°
• β: 126.076 ± 0.004°
• γ: 90°
• Cell volume: 4508.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No