Information card for entry 7705639

Structure parameters

• Formula: C27 H23 Cl4 N4 P Pt S2
• Calculated formula: C27 H23 Cl4 N4 P Pt S2
• SMILES: [Pt]1(Cl)([S]=C(S1)N1CCN(CC1)c1ncccn1)[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: 11.74447 ± 0.00017 Å
• b: 18.5199 ± 0.0002 Å
• c: 14.4446 ± 0.0002 Å
• α: 90°
• β: 109.796 ± 0.0016°
• γ: 90°
• Cell volume: 2956.13 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0198
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No