Information card for entry 4076809

Structure parameters

• Formula: C22 H10 Co2 Fe2 Mo O9 Te2
• Calculated formula: C22 H10 Co2 Fe2 Mo O9 Te2
• SMILES: [Mo]123456789([Co]%10%11%12%13([Co]%14([Fe]%153%11([Te]1[Fe]4%15([Te]2%10)(C#[O])C#[O])([C]9%13=[C]%12%14c1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O])[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Synthesis, Structure, and Reactivity of Mixed-Metal Clusters Bearing η1-Acetylide Groups, (η5-C5H5)MFe2(μ3-E)2(CO)6(η1-CCPh) (M = Mo or W and E = Se or Te)
• Authors of publication: Mathur, Pradeep; Bhunia, Anjan K.; Kumar, Arvind; Chatterjee, Saurav; Mobin, Shaikh M.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 11
• Pages of publication: 2215
• a: 9.352 ± 0.0008 Å
• b: 17.758 ± 0.0012 Å
• c: 16.685 ± 0.0009 Å
• α: 90 ± 0.005°
• β: 100.657 ± 0.005°
• γ: 90 ± 0.006°
• Cell volume: 2723.1 ± 0.3 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: 0.0474
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No