Information card for entry 4061016

Structure parameters

• Formula: C40 H58 B20 O P2 Ru
• Calculated formula: C40 H58 B20 O P2 Ru
• SMILES: [Ru]123456([P]([C]789%10[C]%11%12%13([P]1(c1ccccc1)c1ccccc1)[BH]1%147[BH]7%158[BH]8%169[BH]9%10%11[BH]%10%11%16[BH]%16%158[BH]8%147[BH]7%121[BH]%139%10[BH]%11%1687)(c1ccccc1)c1ccccc1)[C]1789[C]%10%11%12(C(C)(C)[c]%132[cH]3[cH]4[cH]5[cH]6%13)[BH]231[BH]14%10[BH]56%11[BH]%107%12[BH]7%116[BH]645[BH]431[BH]182[BH]9%107[BH]%11641.C1CCCO1
• Title of publication: Synthesis, Structural Characterization, Ligand Displacement Reaction, and Electrochemical Property of Ruthenium Complexes Incorporating Linked Cyclopentadienyl-Carboranyl Ligands
• Authors of publication: Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 5864 - 5872
• a: 11.3032 ± 0.0005 Å
• b: 31.324 ± 0.0015 Å
• c: 13.2866 ± 0.0006 Å
• α: 90°
• β: 96.927 ± 0.001°
• γ: 90°
• Cell volume: 4669.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No