Information card for entry 2012592

Structure parameters

• Chemical name: tri-μ-carbonyl-1:3κ^2^C;1:4κ^2^C;3:4κ^2^C-heptacarbonyl- 1κC,2κ^2^C,3κ^2^C,4κ^2^C-bis[1,2(η^5^)-methylcyclopentadienyl]- tetrahedro-diiridiumdimolybdenum
• Formula: C22 H14 Ir2 Mo2 O10
• Calculated formula: C22 H14 Ir2 Mo2 O10
• SMILES: [Ir]1234([Ir]56([Mo]1([cH]17)([cH]18)([cH]71)([cH]17)([c]78C)([Mo]25([cH]12)([cH]15)([cH]21)([cH]12)([c]25C)(C#[O])C#[O])(C4=O)(C6=O)C#[O])(C3=O)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate
• Authors of publication: Lucas, Nigel T.; Humphrey, Mark G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m171 - m173
• a: 9.89 ± 0.001 Å
• b: 16.563 ± 0.001 Å
• c: 15.135 ± 0.002 Å
• α: 90°
• β: 91.67 ± 0.01°
• γ: 90°
• Cell volume: 2478.2 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• 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: 0.05
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections: 1.7
• Goodness-of-fit parameter for all reflections included in the refinement: 1.835
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes