Information card for entry 7718527

Structure parameters

• Formula: C45 H50 Cl2 N3 O2 P Ru
• Calculated formula: C45 H50 Cl2 N3 O2 P Ru
• Title of publication: Hydrogen production via aqueous-phase reforming of methanol catalyzed by ruthenium(ii) complexes with Schiff-base pincer ligands
• Authors of publication: Ma, Chong; Xia, Yihao; Ding, Xue; Qin, Lei; Zheng, Zhiping
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 7785 - 7792
• a: 20.9459 ± 0.0013 Å
• b: 14.1401 ± 0.0009 Å
• c: 14.5156 ± 0.0009 Å
• α: 90°
• β: 109.756 ± 0.002°
• γ: 90°
• Cell volume: 4046.1 ± 0.4 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 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: 0.05
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No