Information card for entry 7045273

Structure parameters

• Formula: C22 H30 Cl N3 O4 Os S
• Calculated formula: C22 H30 Cl N3 O4 Os S
• SMILES: [Os]123456(Cl)([n]7c(N8C=1N(C=C8)CCCS(=O)(=O)[O-])cccc7)[cH]1[c]6([cH]5[cH]4[c]3([cH]21)C(C)C)C.OC
• 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: 10.5278 ± 0.0002 Å
• b: 17.4635 ± 0.0004 Å
• c: 13.68 ± 0.0003 Å
• α: 90°
• β: 93.009 ± 0.001°
• γ: 90°
• Cell volume: 2511.63 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No