Information card for entry 4116914

Structure parameters

• Formula: C31 H70 K N O6 Os P2
• Calculated formula: C31 H69 K N O6 Os P2
• Title of publication: New Polyhydride Anions and Proton-Hydride Hydrogen Bonding in Their Ion Pairs. X-ray Crystal Structure Determinations of Q[mer-Os(H)3(CO)(PiPr3)2], Q = [K(18-crown-6)] and Q = [K(1-aza-18-crown-6)]
• Authors of publication: Dmitry G. Gusev; Alan J. Lough; Robert H. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 13138 - 13147
• a: 11.595 ± 0.003 Å
• b: 21.667 ± 0.004 Å
• c: 16.676 ± 0.003 Å
• α: 90°
• β: 104.608 ± 0.015°
• γ: 90°
• Cell volume: 4054.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.0724
• Goodness-of-fit parameter for all reflections: 0.951
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No