Information card for entry 7016378

Structure parameters

• Formula: C16 H40 Cl N Os P2
• Calculated formula: C16 H40 Cl N Os P2
• SMILES: [OsH3]12(Cl)[P](CC[NH]2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: PNP pincer osmium polyhydrides for catalytic dehydrogenation of primary alcohols.
• Authors of publication: Bertoli, Marcello; Choualeb, Aldjia; Gusev, Dmitry G.; Lough, Alan J.; Major, Quinn; Moore, Brandon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8941 - 8949
• a: 11.4821 ± 0.0005 Å
• b: 13.5764 ± 0.0006 Å
• c: 14.3947 ± 0.0006 Å
• α: 90°
• β: 101.339 ± 0.002°
• γ: 90°
• Cell volume: 2200.13 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.086
• 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: No
• Has Fobs: No