Information card for entry 7033667

Structure parameters

• Formula: C44 H42 Cl6 N2 O3 P2 Ru2
• Calculated formula: C44 H42 Cl6 N2 O3 P2 Ru2
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)C(=O)c3[n]2c(ccc3)C([P]([Ru]23456(Cl)(Cl)[c]7([cH]2[cH]3[c]4([cH]5[cH]67)C(C)C)C)(c2ccccc2)c2ccccc2)=[O]1)[N]#CC.C(Cl)Cl.O
• Title of publication: A phosphomide based PNP ligand, 2,6-{Ph2PC(O)}2(C5H3N), showing PP, PNP and PNO coordination modes.
• Authors of publication: Kumar, Pawan; Kashid, Vitthalrao S.; Reddi, Yernaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4167 - 4179
• a: 12.3052 ± 0.0014 Å
• b: 12.6279 ± 0.0014 Å
• c: 15.3356 ± 0.0017 Å
• α: 90.014 ± 0.002°
• β: 93.922 ± 0.002°
• γ: 105.059 ± 0.002°
• Cell volume: 2295.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No