Information card for entry 2015239

Structure parameters

• Chemical name: (η^6^-p-cymene)(oxalato-κ^2^O,O')(pyridine-3,5-dicarboxylic acid-κN)ruthenium(II)
• Formula: C19 H19 N O8 Ru
• Calculated formula: C19 H19 N O8 Ru
• SMILES: [Ru]123456([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)(OC(=O)C(=O)O6)[n]1cc(cc(c1)C(=O)O)C(=O)O
• Title of publication: Oxalate complexes of the (η^6^-<i>p</i>-cymene)ruthenium(II) fragment: μ-oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^6^-<i>p</i>-cymene)(triphenylphosphine-κ<i>P</i>)ruthenium(II)] bis(tetrafluoroborate) and (η^6^-<i>p</i>-cymene)(oxalato-κ^2^<i>O</i>,<i>O</i>')(pyridine-3,5-dicarboxylic acid-κ<i>N</i>)ruthenium(II)
• Authors of publication: Dale, Sophie H.; Elsegood, Mark R. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m166 - m170
• a: 7.8754 ± 0.0005 Å
• b: 9.0005 ± 0.0006 Å
• c: 13.6905 ± 0.0009 Å
• α: 98.647 ± 0.002°
• β: 106.062 ± 0.002°
• γ: 90.165 ± 0.002°
• Cell volume: 920.92 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes