Information card for entry 4110378

Structure parameters

• Formula: C15 H21 Cl O2 Os
• Calculated formula: C15 H21 Cl O2 Os
• SMILES: [Os]123456(Cl)([c]7([cH]1[cH]2[c]3(C)[cH]4[cH]57)C(C)C)[O]=C(C=C(O6)C)C
• Title of publication: Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions
• Authors of publication: Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 1739 - 1748
• a: 9.4688 ± 0.0005 Å
• b: 10.0201 ± 0.0006 Å
• c: 16.5231 ± 0.0008 Å
• α: 95.496 ± 0.004°
• β: 89.941 ± 0.003°
• γ: 92.784 ± 0.004°
• Cell volume: 1558.63 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No