Information card for entry 7718528

Structure parameters

• Formula: C50 H56 Cl4 N3 P Ru
• Calculated formula: C50 H56 Cl4 N3 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: 10.8192 ± 0.0006 Å
• b: 12.7886 ± 0.0007 Å
• c: 17.5557 ± 0.0008 Å
• α: 98.8008 ± 0.0017°
• β: 100.834 ± 0.003°
• γ: 92.67 ± 0.002°
• Cell volume: 2350.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No