Information card for entry 7035376

Structure parameters

• Chemical name: (OC-6-12)-dichlorobis{tris-[4-(tetrahydro-1,4-oxazino-?N)methyl]phosphine-?P} ruthenium(II)
• Formula: C30 H60 Cl2 N6 O6 P2 Ru
• Calculated formula: C30 H60 Cl2 N6 O6 P2 Ru
• SMILES: C1[N]2(CCOCC2)[Ru]2([N]3(C[P]2(CN2CCOCC2)CN2CCOCC2)CCOCC3)([P]1(CN1CCOCC1)CN1CCOCC1)(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: 10.2331 ± 0.0001 Å
• b: 17.3721 ± 0.0002 Å
• c: 10.6544 ± 0.0002 Å
• α: 90°
• β: 92.496 ± 0.001°
• γ: 90°
• Cell volume: 1892.24 ± 0.05 ų
• Cell temperature: 132 K
• Ambient diffraction temperature: 132 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: 0.0306
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No