Information card for entry 4063393

Structure parameters

• Formula: C16 H28 B10 O2 Ru Se2
• Calculated formula: C16 H28 B10 O2 Ru Se2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]615[BH]152[BH]%11%14([BH]%15961)[C]14%135[C]37%10%12[Se]2C(=C[Ru]345672([c]2([cH]7[cH]6[c]5([cH]4[cH]32)C(C)C)C)[Se]1)C(=O)OC
• Title of publication: Multinuclear Self-Assembly via a (p-Cymene)ruthenium Unit and ano-Carborane Selenolate Ligand
• Authors of publication: Hu, Jiurong; Wen, Jialin; Wu, Dehong; Zhang, Rui; Liu, Guifeng; Jiang, Qibai; Li, Yizhi; Yan, Hong
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 298 - 304
• a: 14.3288 ± 0.0017 Å
• b: 10.461 ± 0.0013 Å
• c: 16.249 ± 0.002 Å
• α: 90°
• β: 92.297 ± 0.002°
• γ: 90°
• Cell volume: 2433.7 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.085
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No