Information card for entry 4079246

Structure parameters

• Formula: C30 H37 B2 Fe2 O6 Ru2
• Calculated formula: C30 H37 B2 Fe2 O6 Ru2
• SMILES: [BH]123[C]45([C]67([B]89%10[Fe]%11%121(C(=O)[Ru]1%13%14%15%169%12([c]9([c]1([c]%13([c]%14([c]%159C)C)C)C)C)C(=O)[Fe]2468%11%16(C#[O])C#[O])(C#[O])(C#[O])[Ru]1246357%10[c]3([c]6([c]4([c]2([c]13C)C)C)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: 9.7112 ± 0.0005 Å
• b: 18.7378 ± 0.0008 Å
• c: 17.9279 ± 0.0007 Å
• α: 90°
• β: 105.515 ± 0.002°
• γ: 90°
• Cell volume: 3143.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No