Information card for entry 4068722

Structure parameters

• Formula: C21 H40 F6 N2 Os P2
• Calculated formula: C21 H40 F6 N2 Os P2
• SMILES: [OsH]123([P](C(C)C)(C(C)C)C(C)C)([N]#CC)([N]#CC)[CH]4=[CH]1CC[CH]2=[CH]3CC4.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Behavior of OsH2Cl2(PiPr3)2in Acetonitrile: The Importance of the Small Details
• Authors of publication: Esteruelas, Miguel A.; Fuertes, Sara; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1582
• a: 14.814 ± 0.006 Å
• b: 28.694 ± 0.012 Å
• c: 11.889 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5054 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No