Information card for entry 7705638

Structure parameters

• Formula: C30 H27 Cl4 N2 O P Pt S2
• Calculated formula: C30 H27 Cl4 N2 O P Pt S2
• SMILES: [Pt]1(Cl)([S]=C(S1)N1CCN(CC1)c1cc(OC)ccc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
• Title of publication: Two new monofunctional platinum(II) dithiocarbamate complexes: <i>phenanthriplatin</i>-type axial protection, equatorial-axial conformational isomerism, and anticancer and DNA binding studies.
• Authors of publication: Imran, Muhammad; Rehman, Zia Ur; Hogarth, Graeme; Tocher, Derek A.; Chaudhry, Gul-E-Saba; Butler, Ian S.; Bélanger-Gariepy, Francine; Kondratyuk, Tamara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15385 - 15396
• a: 19.8684 ± 0.0008 Å
• b: 9.9816 ± 0.0004 Å
• c: 17.736 ± 0.0007 Å
• α: 90°
• β: 113.184 ± 0.0015°
• γ: 90°
• Cell volume: 3233.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No