Information card for entry 7043388

Structure parameters

• Formula: C37 H35 Cl2 O4 P Ru
• Calculated formula: C37 H35 Cl2 O4 P Ru
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456(Cl)(Cl)[P](c1ccc(cc1)OC(=O)c1ccccc1OC(=O)C)(c1ccccc1)c1ccccc1)C(C)C)C
• Title of publication: A general strategy to add diversity to ruthenium arene complexes with bioactive organic compounds via a coordinated (4-hydroxyphenyl)diphenylphosphine ligand
• Authors of publication: Biancalana, Lorenzo; Batchelor, Lucinda K.; De Palo, Alice; Zacchini, Stefano; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.985 ± 0.0003 Å
• b: 12.0865 ± 0.0004 Å
• c: 13.9883 ± 0.0004 Å
• α: 114.075 ± 0.001°
• β: 92.914 ± 0.002°
• γ: 97.381 ± 0.002°
• Cell volume: 1670.66 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No