Information card for entry 7006466

Structure parameters

• Formula: C26 H50 B20 Mo O2 Rh2 S4
• Calculated formula: C26 H50 B20 Mo O2 Rh2 S4
• SMILES: [Rh]1234567([Mo]89%10%11([Rh]%12%13%14%15%16([S]9[C]9%17%18%19[BH]%20%21%22[BH]%23%249[BH]9%25%17[BH]%17%26%18[BH]%18%27%25[BH]%25%249[BH]9%21%23[BH]%21%23%20[BH]%17%18([BH]%27%259%21)[C]%19%22%26%23[S]%10%12)(C%11=O)[c]9([c]%13([c]%14([c]%15([c]%169C)C)C)C)C)([S]1[C]19%10%11[BH]%12%13%14[BH]%15%161[BH]1%179[BH]9%18%10[BH]%10%19%17[BH]%17%161[BH]1%13%15[BH]%13%15%12[BH]9%10([BH]%19%171%13)[C]%11%14%18%15[S]28)C3=O)[c]1([c]7([c]6([c]5([c]41C)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: 14.062 ± 0.006 Å
• b: 21.235 ± 0.009 Å
• c: 15.358 ± 0.007 Å
• α: 90°
• β: 109.426 ± 0.008°
• γ: 90°
• Cell volume: 4325 ± 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: 0.1768
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No