Information card for entry 4341147

Structure parameters

• Formula: C24 H34 B3 Mn O3 Ru2 S2
• Calculated formula: C24 H34 B3 Mn O3 Ru2 S2
• SMILES: [Ru]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[Ru]12349%10%11([c]%12([c]1([c]2([c]3([c]4%12C)C)C)C)C)[Mn]1(C#[O])(C#[O])(C#[O])[S](C[S]59)[BH]6[B]7%101[BH]8%11
• Title of publication: Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.
• Authors of publication: Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10527 - 10535
• a: 9.8408 ± 0.0004 Å
• b: 14.9804 ± 0.0007 Å
• c: 19.2336 ± 0.0008 Å
• α: 90°
• β: 98.532 ± 0.002°
• γ: 90°
• Cell volume: 2804 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No