Information card for entry 7035374

Structure parameters

• Chemical name: (OC-6-12)-dichlorobis{[4-(tetrahydro-1,4-oxazino-?N)methyl]diphenylphosphine-?P}ruthenium(II)
• Formula: C34 H40 Cl2 N2 O2 P2 Ru
• Calculated formula: C34 H40 Cl2 N2 O2 P2 Ru
• SMILES: C1[P](c2ccccc2)(c2ccccc2)[Ru]2([N]31CCOCC3)([N]1(C[P]2(c2ccccc2)c2ccccc2)CCOCC1)(Cl)Cl
• Title of publication: New ruthenium(ii) coordination compounds possessing bidentate aminomethylphosphane ligands: synthesis, characterization and preliminary biological study in vitro.
• Authors of publication: Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K.; Skórska-Stania, Agnieszka; Jeżowska-Bojczuk, Małgorzata; Stochel, Grażyna; Kyzioł, Agnieszka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13969 - 13978
• a: 11.718 ± 0.0003 Å
• b: 10.696 ± 0.0003 Å
• c: 13.414 ± 0.0004 Å
• α: 90°
• β: 104.386 ± 0.002°
• γ: 90°
• Cell volume: 1628.54 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No