Information card for entry 4341151

Structure parameters

• Formula: C31 H40 B3 Fe2 O7 Ru2 S2
• Calculated formula: C31 H40 B3 Fe2 O7 Ru2 S2
• 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: 11.288 ± 0.0004 Å
• b: 13.4733 ± 0.0005 Å
• c: 14.2504 ± 0.0005 Å
• α: 78.851 ± 0.002°
• β: 80.369 ± 0.002°
• γ: 71.156 ± 0.002°
• Cell volume: 1999.55 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No