Information card for entry 7223066

Structure parameters

• Formula: C41 H36 Cl3 F3 N2 O9 Ru S
• Calculated formula: C41 H36 Cl2.9985 F3 N2 O9 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: 12.0563 ± 0.0006 Å
• b: 20.5906 ± 0.0011 Å
• c: 35.1658 ± 0.0019 Å
• α: 90°
• β: 95.724 ± 0.003°
• γ: 90°
• Cell volume: 8686.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No