Information card for entry 7056040

Structure parameters

• Formula: C130 H129 F6 N12 O13 P4 Ru2 S2
• Calculated formula: C130 H129 F6 N12 O13 P4 Ru2 S2
• Title of publication: New Ru(ii) N′NN′-type pincer complexes: synthesis, characterization and the catalytic hydrogenation of CO2 or bicarbonates to formate salts
• Authors of publication: Dai, Zengjin; Luo, Qi; Cong, Hengjiang; Zhang, Jing; Peng, Tianyou
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 3055
• a: 19.8753 ± 0.0012 Å
• b: 13.6546 ± 0.0008 Å
• c: 23.5872 ± 0.0014 Å
• α: 90°
• β: 108.782 ± 0.001°
• γ: 90°
• Cell volume: 6060.4 ± 0.6 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: 0.0514
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No