Information card for entry 7026620

Structure parameters

• Chemical name: cis-dichloridobis(3-imino-2-methoxyflavanone)ruthenium(II) x 3H2O
• Formula: C32 H32 Cl2 N2 O9 Ru
• Calculated formula: C32 H28 Cl2 N2 O9 Ru
• SMILES: C12C([C@](Oc3c1cccc3)(OC)c1ccccc1)=[NH][Ru]1([O]=2)([NH]=C2C(c3c(cccc3)O[C@@]2(OC)c2ccccc2)=[O]1)(Cl)Cl.C12C([C@@](Oc3c1cccc3)(OC)c1ccccc1)=[NH][Ru]1([O]=2)([NH]=C2C(c3c(cccc3)O[C@]2(OC)c2ccccc2)=[O]1)(Cl)Cl.O.O.O.O.O.O
• Title of publication: Synthesis, single-crystal and solution structure analysis and in vitro cytotoxic activity of two novel complexes of ruthenium(II) with in situ formed flavanone-based ligands.
• Authors of publication: Ochocki, Justyn; Kasprzak, Maria; Chęcińska, Lilianna; Erxleben, Andrea; Zyner, Elżbieta; Szmigiero, Leszek; Garza-Ortiz, Ariadna; Reedijk, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9711 - 9718
• a: 22.434 ± 0.004 Å
• b: 8.694 ± 0.008 Å
• c: 17.63 ± 0.01 Å
• α: 90°
• β: 93.56 ± 0.03°
• γ: 90°
• Cell volume: 3432 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0689
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No