Information card for entry 4349127

Structure parameters

• Formula: C37 H44 Mo2 N O2 P S
• Calculated formula: C37 H44 Mo2 N O2 P S
• SMILES: [Mo]12345([P]6([Mo]789%10%11%12%13%14%15([c]%166[cH]7[cH]8[cH]9[cH]%10%16)[cH]6[c]%15([cH]%14[c]%13([cH]%12[c]%116C(C)(C)C)C(C)(C)C)C(C)(C)C)C(S1)=Nc1ccccc1)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Cycloaddition Reactions of the Phosphinidene-Bridged Complex [Mo₂Cp(μ-κ¹:κ¹,η⁵-PC₅H₄)(CO)₂(η⁶-HMes*)] with Diazoalkanes and Other Heterocumulenes.
• Authors of publication: Albuerne, Isabel G.; Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10680 - 10691
• a: 10.5874 ± 0.0006 Å
• b: 11.1625 ± 0.0007 Å
• c: 15.7439 ± 0.0009 Å
• α: 95.834 ± 0.005°
• β: 106.289 ± 0.005°
• γ: 95.765 ± 0.005°
• Cell volume: 1760.43 ± 0.19 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No