Information card for entry 4320332

Structure parameters

• Common name: 00139
• Formula: C48 H52 Cl2 Ir N O3 Sn2
• Calculated formula: C48 H52 Cl2 Ir N O3 Sn2
• SMILES: [Ir]([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].[N+](CC)(CC)(CC)CC.ClCCl
• Title of publication: Synthesis, Isolation, and Characterization of Trisodium Tricarbonyliridate (3-), Na3[Ir(CO)3]. Initial Studies on Its Derivative Chemistry and Structural Characterizations of trans-[Ir(CO)3(EPh3)2]-, E = Ge, Sn, and trans-[Co(CO)3(SnPh3)2]-,1
• Authors of publication: Jessica M. Allen; William W. Brennessel; Carrie E. Buss; John E. Ellis; Mikhail E. Minyaev; Maren Pink; Garry F. Warnock; Mark L. Winzenburg; Victor G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5279 - 5284
• a: 23.933 ± 0.002 Å
• b: 9.858 ± 0.001 Å
• c: 20.785 ± 0.002 Å
• α: 90°
• β: 105.913 ± 0.002°
• γ: 90°
• Cell volume: 4715.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No