Information card for entry 1559798

Structure parameters

• Formula: C24 H44 Os P2
• Calculated formula: C24 H44 Os P2
• SMILES: [P](C(C)C)(c1ccccc1)(C(C)C)[OsH6][P](c1ccccc1)(C(C)C)C(C)C
• Title of publication: Accurate crystal structures and chemical properties from NoSpherA2.
• Authors of publication: Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1675 - 1692
• a: 10.8918 ± 0.0001 Å
• b: 13.7619 ± 0.0001 Å
• c: 17.0714 ± 0.0002 Å
• α: 90°
• β: 98.563 ± 0.001°
• γ: 90°
• Cell volume: 2530.34 ± 0.04 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0143
• Residual factor for significantly intense reflections: 0.0119
• Weighted residual factors for significantly intense reflections: 0.0185
• Weighted residual factors for all reflections included in the refinement: 0.0189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0722
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No