Information card for entry 7231553

Structure parameters

• Formula: C69 H42 Cl2 N2 O19 Os6 P2 S2
• Calculated formula: C69 H42 Cl2 N2 O19 Os6 P2 S2
• Title of publication: Experimental and computational preference for phosphine regioselectivity and stereoselective tripodal rotation in HOs3(CO)8(PPh3)2(μ-1,2-N,C-η1,κ1-C7H4NS)
• Authors of publication: Begum, Shahin A.; Chowdhury, Md. Arshad H.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Yang, Li; Hardcastle, K. I.; Rosenberg, Edward; Kabir, Shariff E.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 57
• Pages of publication: 32672
• a: 11.0561 ± 0.0002 Å
• b: 16.0438 ± 0.0003 Å
• c: 21.7248 ± 0.0005 Å
• α: 100.946 ± 0.0019°
• β: 92.7106 ± 0.0019°
• γ: 90.9327 ± 0.0017°
• Cell volume: 3777.99 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0285
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No