Information card for entry 2205323

Structure parameters

• Formula: C60.5 H57 Cl Ir4 Mo4 O16 S
• Calculated formula: C60.5 H57 Cl Ir4 Mo4 O16 S
• Title of publication: [μ~8~-η^4^-2,5-Bis(oct-1-ynyl)thiophene]bis[octacarbonylbis(η^5^-methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum] dichloromethane hemisolvate
• Authors of publication: Lucas, Nigel T.; Humphrey, Mark G.; Willis, Anthony C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m463 - m464
• a: 9.9141 ± 0.0002 Å
• b: 43.1674 ± 0.0008 Å
• c: 15.7682 ± 0.0003 Å
• α: 90°
• β: 104.67 ± 0.0005°
• γ: 90°
• Cell volume: 6528.3 ± 0.2 ų
• Cell temperature: 473.2 K
• Ambient diffraction temperature: 200 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: 0.0378
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections: 0.97
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes