Information card for entry 7045269

Structure parameters

• Formula: C36 H45 Ag2 F12 N9 P2
• Calculated formula: C36 H45 Ag2 F12 N9 P2
• SMILES: [Ag](=C1N(C=CN1c1[n]([Ag]=C2N(C=CN2c2ncccc2)CCCC)cccc1)CCCC)=C1N(C=CN1c1ncccc1)CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 12.6948 ± 0.0006 Å
• b: 13.5073 ± 0.0006 Å
• c: 14.4562 ± 0.0007 Å
• α: 94.699 ± 0.002°
• β: 105.537 ± 0.002°
• γ: 112.654 ± 0.002°
• Cell volume: 2155.71 ± 0.18 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No