Information card for entry 7041220

Structure parameters

• Formula: C40 H30 Br2 N4 O6 Ru
• Calculated formula: C40 H22 Br2 N4 O6 Ru
• Title of publication: Ruthenium water oxidation catalysts containing the non-planar tetradentate ligand, biisoquinoline dicarboxylic acid (biqaH2).
• Authors of publication: Scherrer, Dominik; Schilling, Mauro; Luber, Sandra; Fox, Thomas; Spingler, Bernhard; Alberto, Roger; Richmond, Craig J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19361 - 19367
• a: 12.5539 ± 0.0005 Å
• b: 12.8514 ± 0.0005 Å
• c: 15.274 ± 0.0005 Å
• α: 66.242 ± 0.004°
• β: 67.419 ± 0.004°
• γ: 62.385 ± 0.004°
• Cell volume: 1938.46 ± 0.15 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.065
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No