Information card for entry 7042475

Structure parameters

• Formula: C37 H55 Mo2 O2 P2 S2
• Calculated formula: C37 H55 Mo2 O2 P2 S2
• Title of publication: Chemistry of CS2- and SCNPh-adducts of the pyramidal phosphinidene-bridged complex [Mo2Cp(μ-κ(1):κ(1),η(5)-PC5H4)(CO)2(η(6)-HMes*)(PMe3)].
• Authors of publication: Albuerne, Isabel G.; Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3510 - 3525
• a: 17.5929 ± 0.0002 Å
• b: 14.3266 ± 0.0001 Å
• c: 18.1379 ± 0.0002 Å
• α: 90°
• β: 97.397 ± 0.001°
• γ: 90°
• Cell volume: 4533.55 ± 0.08 ų
• Cell temperature: 123 ± 0.3 K
• Ambient diffraction temperature: 123 ± 0.3 K
• Number of distinct elements: 6
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No