Information card for entry 7035375

Structure parameters

• Chemical name: (OC-6-33)-bis(acetonitrile)dichlorobis{[4-(tetrahydro-1,4-oxazino)methyl]diphenylphosphine-?P}ruthenium(II)
• Formula: C42 H52 Cl2 N6 O2 P2 Ru
• Calculated formula: C42 H52 Cl2 N6 O2 P2 Ru
• SMILES: C(N1CCOCC1)[P](c1ccccc1)(c1ccccc1)[Ru]([N]#CC)(Cl)([N]#CC)([P](CN1CCOCC1)(c1ccccc1)c1ccccc1)Cl.C(#N)C.C(#N)C
• 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: 11.7701 ± 0.0003 Å
• b: 15.4658 ± 0.0004 Å
• c: 23.888 ± 0.0005 Å
• α: 90°
• β: 101.725 ± 0.002°
• γ: 90°
• Cell volume: 4257.7 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No