Information card for entry 4323613

Structure parameters

• Chemical name: Dichloro(triphenylphosphine)[N,N'-bis(6-methyl-1-pyridinium-2-yl)- 2,6-pyridinedicarboximidato-κ^3^N]ruthenium(II)
• Formula: C37 H32 Cl2 N5 O2 P Ru
• Calculated formula: C37 H32 Cl2 N5 O2 P Ru
• SMILES: [Ru]12(Cl)(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)N(c3[nH+]c(C)ccc3)C(=O)c3[n]1c(ccc3)C(=O)N2c1[nH+]c(ccc1)C
• Title of publication: Ruthenium Complexes of a Simple Tridentate Ligand Bearing Two "Distal" Pyridine Bases
• Authors of publication: Seth M. Redmore; Clifton E. F. Rickard; Simon J. Webb; L. James Wright
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4743 - 4748
• a: 10.482 ± 0.005 Å
• b: 11.349 ± 0.008 Å
• c: 15.71 ± 0.004 Å
• α: 92.55 ± 0.03°
• β: 90.06 ± 0.03°
• γ: 115.22 ± 0.03°
• Cell volume: 1688.6 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections: 0.1081
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No