Information card for entry 4075660

Structure parameters

• Formula: C37 H60 Cl N Os P2 Sn
• Calculated formula: C37 H60 Cl N Os P2 Sn
• SMILES: [OsH2]1([Sn](Cl)(c2ccccc2)c2ccccc2)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2c(C=C1)cccc2
• Title of publication: C(sp2)−H Activation of RCHE−py (E = CH, N) and RCHCHC(O)R‘ Substrates Promoted by a Highly Unsaturated Osmium−Monohydride Complex
• Authors of publication: Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 7
• Pages of publication: 1428
• a: 11.0322 ± 0.0012 Å
• b: 11.7494 ± 0.0013 Å
• c: 16.8982 ± 0.0018 Å
• α: 102.092 ± 0.002°
• β: 91.235 ± 0.002°
• γ: 117.825 ± 0.002°
• Cell volume: 1876 ± 0.4 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: 0.0362
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No