Information card for entry 7006555

Structure parameters

• Formula: C33 H63 B20 Cl2 Ir2 Rh2 Se4
• Calculated formula: C33 H63 B20 Cl2 Ir2 Rh2 Se4
• SMILES: [Ir]123456([Rh]789([Ir]%10%11%12%13%14%15([Rh]%16%17%18%19([Se]8%10)([Se]9[C]89%10%20[C]%21%22%23%16[BH]%16%248[BH]8%25%21[BH]%21%26%22[BH]%22%159%23[BH]9%15%26[BH]%23%25%21[BH]%21%248[BH]8%10%16[BH]%20%229[BH]%15%23%218)[CH]8=[CH]%17CC[CH]%18=[CH]%19CC8)[c]8([c]%11([c]%12([c]%13([c]%148C)C)C)C)C)[Se]1[C]189%10[C]%11%12%13([Se]27)[BH]271[BH]1%148[BH]8%159[BH]9%10%11[BH]%10%11%15[BH]%15%148[BH]871[BH]1%122[BH]%139%10[BH]%11%1581)[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: 11.104 ± 0.003 Å
• b: 26.517 ± 0.006 Å
• c: 18.003 ± 0.004 Å
• α: 90°
• β: 98.155 ± 0.004°
• γ: 90°
• Cell volume: 5247 ± 2 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: 0.1059
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No