Information card for entry 7223067

Structure parameters

• Formula: C45 H40 F3 N3 O7 Ru S
• Calculated formula: C45 H40 F3 N3 O7 Ru S
• Title of publication: Ruthenium hydroxycyclopentadienyl N-heterocyclic carbene complexes as transfer hydrogenation catalysts
• Authors of publication: Mazzoni, Rita; Cesari, Cristiana; Cingolani, Andrea; Parise, Chiara; Zacchini, Stefano; Zanotti, Valerio; Cassani, Maria-Cristina
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.004 ± 0.0004 Å
• b: 35.1188 ± 0.0012 Å
• c: 10.2256 ± 0.0004 Å
• α: 90°
• β: 95.344 ± 0.002°
• γ: 90°
• Cell volume: 4292 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.144
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.2442
• Weighted residual factors for all reflections included in the refinement: 0.2626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No