Information card for entry 7231552

Structure parameters

• Formula: C51 H35 N O8 Os3 P2 S
• Calculated formula: C51 H35 N O8 Os3 P2 S
• 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: 18.8799 ± 0.0006 Å
• b: 15.041 ± 0.0003 Å
• c: 18.7314 ± 0.0005 Å
• α: 90°
• β: 117.376 ± 0.004°
• γ: 90°
• Cell volume: 4723.5 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No