Information card for entry 4080766

Structure parameters

• Formula: C33 H46 B O3 Ru3
• Calculated formula: C33 H46 B O3 Ru3
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]16782345C(=O)[Ru]23459%107([c]7([c]5([c]4([c]3([c]27C)C)C)C)C)C(=O)[Ru]23458%10([c]7([c]2([c]3([c]4([c]57C)C)C)C)C)(C1=O)[BH]69)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: 16.0903 ± 0.0005 Å
• b: 16.0903 ± 0.0005 Å
• c: 24.508 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6345.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No