Information card for entry 4320977

Structure parameters

• Formula: C8.57 H17.14 Cl2.57 N4.28 O7.71 Ru0.86
• Calculated formula: C8.57143 H17.1429 Cl2.57143 N4.28571 O7.71429 Ru0.857143
• Title of publication: A Controlled NO-Releasing Compound: Synthesis, Molecular Structure, Spectroscopy, Electrochemistry, and Chemical Reactivity of R,R,S,S-trans-[RuCl(NO)(cyclam)]2+ (1,4,8,11-tetraazacyclotetradecane)
• Authors of publication: D. R. Lang; J. A. Davis; L. G. F. Lopes; A. A. Ferro; L. C. G. Vasconcellos; D. W. Franco; E. Tfouni; A. Wieraszko; M. J. Clarke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2294 - 2300
• a: 7.665 Å
• b: 24.7244 ± 0.0001 Å
• c: 16.2871 ± 0.0002 Å
• α: 90°
• β: 95.255 ± 0.001°
• γ: 90°
• Cell volume: 3073.64 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections: 0.1518
• Weighted residual factors for significantly intense reflections: 0.1468
• Goodness-of-fit parameter for all reflections: 1.211
• Goodness-of-fit parameter for significantly intense reflections: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No