Information card for entry 7045270

Structure parameters

• Formula: C23 H28 Ag N6 Na O7 S2
• Calculated formula: C23 H28 Ag N6 Na O7 S2
• SMILES: C(CCS(=O)(=O)[O-])N1C=CN(c2ncccc2)C1=[Ag]=C1N(C=CN1c1ncccc1)CCCS(=O)(=O)[O-].OC.[Na+]
• Title of publication: Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.
• Authors of publication: Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 2318 - 2329
• a: 9.0008 ± 0.0003 Å
• b: 12.2235 ± 0.0004 Å
• c: 13.4457 ± 0.0005 Å
• α: 71.899 ± 0.002°
• β: 82.767 ± 0.002°
• γ: 76.054 ± 0.002°
• Cell volume: 1362.57 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No