Information card for entry 4066809

Structure parameters

• Chemical name: potassium 1,2,3,4-tetra(carboxylic acid)ruthenocene carboxylate
• Formula: C15 H11 K O11 Ru
• Calculated formula: C15 H11 K O11 Ru
• SMILES: [Ru]12345678([c]9([c]1([c]2([c]3([c]49C(=O)O)C(=O)O)C(=O)[O-])C(=O)O)C(=O)O)[cH]1[cH]5[cH]6[cH]7[cH]81.[K+].O
• Title of publication: Synthesis, Spectroscopic Characterization, and Cytotoxic Evaluation of Pentasubstituted Ruthenocenyl Esters
• Authors of publication: Micallef, Leanne S.; Loughrey, Bradley T.; Healy, Peter C.; Parsons, Peter G.; Williams, Michael L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6237
• a: 8.812 ± 0.004 Å
• b: 16.115 ± 0.004 Å
• c: 24.011 ± 0.004 Å
• α: 90°
• β: 97.69 ± 0.03°
• γ: 90°
• Cell volume: 3379 ± 1.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No