Information card for entry 4325455

Structure parameters

• Formula: C26 H33 B3 Fe2 O6 Ru2
• Calculated formula: C26 H33 B3 Fe2 O6 Ru2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]16782345[Fe]234(C#[O])(C#[O])(C#[O])[BH]5[Fe]962(C#[O])(C#[O])(C#[O])[Ru]26%10%11735([c]3([c]%11([c]%10([c]6([c]23C)C)C)C)C)([BH]84)[BH]19)C)C)C)C
• Title of publication: Cluster Expansion Reactions of Group 6 and 8 Metallaboranes Using Transition Metal Carbonyl Compounds of Groups 7-9
• Authors of publication: K. Geetharani; Shubhankar Kumar Bose; Satyanarayan Sahoo; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5824 - 5832
• a: 9.3791 ± 0.0008 Å
• b: 14.967 ± 0.0014 Å
• c: 10.9142 ± 0.0009 Å
• α: 90°
• β: 106.91 ± 0.004°
• γ: 90°
• Cell volume: 1465.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.014
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No