Information card for entry 7111442

Structure parameters

• Formula: C48 H54 B10 O0.5 P2 Ru
• Calculated formula: C48 H50 B10 O0.5 P2 Ru
• SMILES: [RuH]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]56C([C]789%10[C]%11%12%13([c]15[cH]2[cH]3[cH]46)[BH]127[BH]348[BH]569[BH]7%10%11[BH]896[BH]645[BH]423[BH]2%121[BH]%1378[BH]9642)(C)C.C1CCCO1
• Title of publication: An unprecedented intramolecular coupling of o-carboranyl and cyclopentadienyl. Synthesis and structural characterization of a ruthenium complex containing a novel doubly-bridged cyclopentadienyl-carboranyl ligand
• Authors of publication: Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 22
• Pages of publication: 2588 - 2589
• a: 13.317 ± 0.003 Å
• b: 16.389 ± 0.003 Å
• c: 23.527 ± 0.005 Å
• α: 93.51 ± 0.03°
• β: 100.28 ± 0.03°
• γ: 109.95 ± 0.03°
• Cell volume: 4708 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No