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Information card for entry 4063653
Preview
Coordinates | 4063653.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H23 F4 O10 Os3 P2 |
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Calculated formula | C43 H23 F4 O10 Os3 P2 |
Title of publication | Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2] |
Authors of publication | Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A.; Borden, Weston Thatcher; Richmond, Michael G. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 5 |
Pages of publication | 1253 |
a | 12.1322 ± 0.0005 Å |
b | 17.5733 ± 0.0008 Å |
c | 21.5981 ± 0.001 Å |
α | 94.371 ± 0.001° |
β | 101.218 ± 0.001° |
γ | 106.671 ± 0.001° |
Cell volume | 4284 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0287 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.0612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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