Information card for entry 7042473

Structure parameters

• Formula: C100 H78 B2 F48 Mo2 O2 P2 S2
• Calculated formula: C100 H78 B2 F48 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: 14.0227 ± 0.0006 Å
• b: 14.4107 ± 0.0003 Å
• c: 28.596 ± 0.001 Å
• α: 82.24 ± 0.002°
• β: 79.614 ± 0.004°
• γ: 79.716 ± 0.003°
• Cell volume: 5560.9 ± 0.3 ų
• Cell temperature: 152 ± 4 K
• Ambient diffraction temperature: 152 ± 4 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No