Information card for entry 7006554

Structure parameters

• Formula: C33 H63 B20 Cl2 Ir2 Rh2 S4
• Calculated formula: C33 H63 B20 Cl2 Ir2 Rh2 S4
• SMILES: [Ir]123456([Rh]789([Ir]%10%11%12%13%14%15([Rh]%16%17%18%19([S]8%10)([S]9[C]89%10%20[BH]%21%22%23[BH]%24%25%26[BH]%27%28%29[B]%30%118([BH]8%11%28[BH]%28%25%27[BH]%25%22%24[BH]%229%21[BH]%10%308[BH]%11%28%25%22)[C]%16%20%23%26%29)[CH]8=[CH]%17CC[CH]%18=[CH]%19CC8)[c]8([c]%12([c]%13([c]%14([c]%158C)C)C)C)C)[S]1[C]189%10[BH]%11%12%13[BH]%14%151[BH]1%168[BH]8%179[BH]9%18%16[BH]%16%151[BH]1%12%14[BH]%12%14%11[BH]89([BH]%18%161%12)[C]%10%13%17%14[S]27)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.C(Cl)Cl
• Title of publication: Tetrametallic clusters (Ir(2)Rh(2)) through an ancillary ortho-carborane-1,2-dichalcogenolato ligands.
• Authors of publication: Jin, Guo-Xin; Wang, Jian-Qiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 86 - 90
• a: 11.066 ± 0.004 Å
• b: 26.14 ± 0.008 Å
• c: 18.062 ± 0.006 Å
• α: 90°
• β: 98.633 ± 0.005°
• γ: 90°
• Cell volume: 5166 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No