Information card for entry 7038226

Structure parameters

• Chemical name: Ru(H2pdca)(pic)3
• Formula: C25 H26 F6 N6 O2 P Ru
• Calculated formula: C25 H26 F6 N6 O2 P Ru
• SMILES: [Ru]12(NC(=O)c3cccc(C(=O)N2)[n]13)([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A ruthenium water oxidation catalyst based on a carboxamide ligand.
• Authors of publication: Rabten, Wangchuk; Åkermark, Torbjörn; Kärkäs, Markus D; Chen, Hong; Sun, Junliang; Andersson, Pher G.; Åkermark, Björn
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3272 - 3276
• a: 26.1423 ± 0.0002 Å
• b: 13.5644 ± 0.0002 Å
• c: 16.4508 ± 0.0003 Å
• α: 90°
• β: 98.943 ± 0.001°
• γ: 90°
• Cell volume: 5762.61 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No