Information card for entry 4079244

Structure parameters

• Formula: C38 H41 B Fe O4 Ru2
• Calculated formula: C38 H41 B Fe O4 Ru2
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14([Fe]%151([BH]19[C]3%15([C]4%101c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C2=O)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Synthesis and Characterization of Novel Ruthenaferracarboranes from Photoinsertion of Alkynes into a Ruthenaferraborane
• Authors of publication: Geetharani, K.; Ramkumar, V.; Ghosh, Sundargopal
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6381
• a: 10.1477 ± 0.0009 Å
• b: 11.1863 ± 0.0009 Å
• c: 16.6034 ± 0.001 Å
• α: 93.754 ± 0.006°
• β: 95.108 ± 0.006°
• γ: 112.78 ± 0.008°
• Cell volume: 1720.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.2502
• Weighted residual factors for all reflections included in the refinement: 0.2715
• 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