Information card for entry 4067443

Structure parameters

• Formula: C35 H44 Cl4 Mn Mo2 O4 P
• Calculated formula: C35 H44 Cl4 Mn Mo2 O4 P
• SMILES: [Mo]1234567([P](C8CCCCC8)(C8CCCCC8)[Mo]89%10%11%12%13([Mn]%14%15%16%171(C9=O)(C3=O)(C4%10)[c]1([cH]%15[cH]%16[cH]%17[cH]%141)C)(C#[O])[cH]1[cH]8[cH]%13[cH]%12[cH]%111)(C#[O])[cH]1[cH]5[cH]6[cH]7[cH]21.C(Cl)Cl.C(Cl)Cl
• Title of publication: Heterometallic Derivatives of the Unsaturated Methyl-Bridged Complex [Mo2(η5-C5H5)2(μ-CH3)(μ-PCy2)(CO)2]. Photochemical Generation of Methylidyne-Bridged Clusters
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Martínez, M. Eugenia; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 904
• a: 14.11 ± 0.0002 Å
• b: 15.5049 ± 0.0001 Å
• c: 17.9623 ± 0.0002 Å
• α: 90°
• β: 111.979 ± 0.001°
• γ: 90°
• Cell volume: 3644.08 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0559
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No