Information card for entry 4309301

Structure parameters

• Formula: C24 H24 Mo O2 S2
• Calculated formula: C24 H24 Mo O2 S2
• SMILES: [Mo]12345678([cH]9[cH]1[cH]3[cH]5[cH]79)([cH]1[cH]2[cH]4[cH]6[cH]81)(Sc1ccc(OC)cc1)Sc1ccc(OC)cc1
• Title of publication: P-S Bond Scission by Bis(cyclopentadienyl)molybdenum(IV) Dichloride, Cp2MoCl2(aq): First Documented Example of an Organometallic Complex Hydrolyzing Thiophosphinates
• Authors of publication: Louis Y. Kuo; Angela P. Blum; Michal Sabat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5537 - 5541
• a: 21.9832 ± 0.0016 Å
• b: 6.8325 ± 0.0005 Å
• c: 13.8832 ± 0.001 Å
• α: 90°
• β: 96.509 ± 0.002°
• γ: 90°
• Cell volume: 2071.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No