Information card for entry 4339624

Structure parameters

• Formula: C22 H23 Cl N4 O8 Re
• Calculated formula: C22 H23 Cl N4 O8 Re
• SMILES: [Re]1(Cl)([n]2ccccc2C=[N]1C[C@H]1O[C@@H](N2C=C(C)C(=O)NC2=O)C[C@@H]1O)(C#[O])(C#[O])C#[O].O=C(C)C
• Title of publication: Synthesis and characterization of ruthenium and rhenium nucleosides.
• Authors of publication: Wang, Peijiao; Miller, Jeremiah E.; Henling, Lawrence M.; Stern, Charlotte L.; Frank, Natia L.; Eckermann, Amanda L.; Meade, Thomas J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9853 - 9862
• a: 18.9576 ± 0.001 Å
• b: 9.5095 ± 0.0005 Å
• c: 14.4516 ± 0.0008 Å
• α: 90°
• β: 100.495 ± 0.001°
• γ: 90°
• Cell volume: 2561.7 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 2.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No