Information card for entry 4349126

Structure parameters

• Formula: C31 H39 Mo2 O2 P S2
• Calculated formula: C31 H39 Mo2 O2 P S2
• SMILES: [Mo]12345([P]6=C(S1)S[Mo]1789%10%11%12%13%14([c]%156[cH]1[cH]7[cH]8[cH]9%15)[cH]1[c]%10([cH]%11[c]%12([cH]%13[c]%141C(C)(C)C)C(C)(C)C)C(C)(C)C)(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: 9.6565 ± 0.0005 Å
• b: 10.4953 ± 0.0006 Å
• c: 15.7123 ± 0.0009 Å
• α: 90.569 ± 0.004°
• β: 102.965 ± 0.004°
• γ: 101.38 ± 0.004°
• Cell volume: 1518.85 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No