Information card for entry 7119708

Structure parameters

• Chemical name: str1788
• Formula: C84.56 H83.22 Cl12.57 I1.8 N12 O2.95 Ru3
• Calculated formula: C84.5599 H77.22 Cl12.57 I1.8 N12 O2.95 Ru3
• Title of publication: A D3h-symmetry hexaazatriphenylene-tris-N-heterocyclic carbene ligand and its coordination to iridium and gold: preliminary catalytic studies.
• Authors of publication: Ibáñez, S; Poyatos, M.; Peris, E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 3733 - 3736
• a: 17.7983 ± 0.0007 Å
• b: 17.7983 ± 0.0007 Å
• c: 32.0239 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8785.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No