Information card for entry 4070204

Structure parameters

• Formula: C39 H70 Cl2 O Os P2
• Calculated formula: C39 H70 Cl2 O Os P2
• SMILES: [OsH](Cl)(Cl)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)#C/C=C1\CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
• Title of publication: Osmium−Alkenylcarbyne and −Alkenylcarbene Complexes with an Steroid Skeleton: Formation of a Testosterone Organometallic Derivative Containing the 7H-Amino Adenine Tautomer
• Authors of publication: Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 19
• Pages of publication: 5691
• a: 8.9205 ± 0.0011 Å
• b: 19.959 ± 0.002 Å
• c: 23.203 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4131.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No