Information card for entry 4080769

Structure parameters

• Formula: C32 H41 B Fe2 O7 Ru2 Si
• Calculated formula: C32 H41 B Fe2 O7 Ru2 Si
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]167892345[C]2(=O)[Fe]3457(C#[O])(C#[O])[CH]76[C]63([BH]34[Fe]876(C#[O])(C#[O])(C#[O])[Ru]46789253([c]2([c]4([c]6([c]7([c]82C)C)C)C)C)C1=O)[Si](C)(C)C)C)C)C)C
• Title of publication: Chemistry of Homo- and Heterometallic Bridged-Borylene Complexes
• Authors of publication: Yuvaraj, K.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Anju, V. P.; Shankhari, Pritam; Ramkumar, V.; Ghosh, Sundargopal
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2705
• a: 11.5889 ± 0.0015 Å
• b: 16.792 ± 0.003 Å
• c: 17.681 ± 0.003 Å
• α: 88.594 ± 0.006°
• β: 89.689 ± 0.006°
• γ: 89.718 ± 0.006°
• Cell volume: 3439.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No