Information card for entry 4330273

Structure parameters

• Formula: C40 H93 N3 O Os2 P4
• Calculated formula: C40 H93 N3 O Os2 P4
• Title of publication: Reactions of an Osmium-Hexahydride Complex with Cytosine, Deoxycytidine, and Cytidine: The Importance of the Minor Tautomers
• Authors of publication: Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9522 - 9528
• a: 14.1939 ± 0.0009 Å
• b: 15.7893 ± 0.0011 Å
• c: 21.4859 ± 0.0013 Å
• α: 90°
• β: 96.021 ± 0.006°
• γ: 90°
• Cell volume: 4788.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1429
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No