Information card for entry 7039893

Structure parameters

• Formula: C22 H25 Cl N O2 P Ru
• Calculated formula: C22 H25 Cl N O2 P Ru
• SMILES: [Ru]123456(Cl)(OP(=O)(c7[n]1cccc7C)c1ccccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C
• Title of publication: Pyridylphosphinate metal complexes: synthesis, structural characterisation and biological activity.
• Authors of publication: Cross, Jasmine M.; Gallagher, Natalie; Gill, Jason H.; Jain, Mohit; McNeillis, Archibald W.; Rockley, Kimberly L.; Tscherny, Fiona H.; Wirszycz, Natasha J.; Yufit, Dmitry S.; Walton, James W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12807 - 12813
• a: 12.5685 ± 0.0006 Å
• b: 8.1196 ± 0.0004 Å
• c: 20.4312 ± 0.001 Å
• α: 90°
• β: 91.5345 ± 0.0016°
• γ: 90°
• Cell volume: 2084.28 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No