Information card for entry 4068721

Structure parameters

• Formula: C23 H52 Cl3 F6 N2 Os P3
• Calculated formula: C23 H52 Cl3 F6 N2 Os P3
• SMILES: [OsH2]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(Cl)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• 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: 12.007 ± 0.003 Å
• b: 12.305 ± 0.003 Å
• c: 12.584 ± 0.003 Å
• α: 96.562 ± 0.004°
• β: 96.045 ± 0.004°
• γ: 111.462 ± 0.003°
• Cell volume: 1697.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No