Information card for entry 7006467

Structure parameters

• Formula: C26 H50 B20 Mo O2 Rh2 Se4
• Calculated formula: C26 H50 B20 Mo O2 Rh2 Se4
• SMILES: [Mo]123456([Rh]789%10%11([Se]1[C]1%12%13%14[BH]%15%16%17[BH]%18%191[BH]1%20%12[BH]%12%21%13[BH]%13%22%20[BH]%20%191[BH]1%16%18[BH]%16%18%15[BH]%12%13([BH]%22%201%16)[C]%14%17%21%18[Se]27)(C5=O)[c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)[Rh]12578([Se]3[C]39%10%11[BH]%12%13%14[BH]%15%163[BH]3%179[BH]9%18%10[BH]%10%19%17[BH]%17%163[BH]3%13%15[BH]%13%15%12[BH]9%10([BH]%19%173%13)[C]%11%14%18%15[Se]41)(C6=O)[c]1([c]2([c]5([c]7([c]81C)C)C)C)C
• Title of publication: Heterometallic cluster complexes (RhMo, RhW) containing bridging 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands.
• Authors of publication: Cai, Shuyi; Lin, YueJian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 7
• Pages of publication: 912 - 918
• a: 14.245 ± 0.006 Å
• b: 21.417 ± 0.008 Å
• c: 15.405 ± 0.006 Å
• α: 90°
• β: 109.109 ± 0.005°
• γ: 90°
• Cell volume: 4441 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No