Information card for entry 7105262

Structure parameters

• Common name: cis-Dichloro-(tetraethyl(2-(pyridin-2-yl)ethylamino) methylenediphosphonate-N,N')-platinum(ii)
• Chemical name: cis-Dichloro-(tetraethyl(2-(pyridin-2-yl)ethylamino) methylenediphosphonate-N,N')-platinum(ii)
• Formula: C16 H30 Cl2 N2 O6 P2 Pt
• Calculated formula: C16 H30 Cl2 N2 O6 P2 Pt
• SMILES: c1cccc2CC[NH](C(P(=O)(OCC)OCC)P(=O)(OCC)OCC)[Pt](Cl)(Cl)[n]12
• Title of publication: Platinum(ii) compounds bearing bone-targeting group: synthesis, crystal structure and antitumor activity
• Authors of publication: Xue, Zuqin; Lin, Miaoxin; Zhu, Jianhui; Zhang, Junfeng; Li, Yizhi; Guo, Zijian
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 1212
• a: 8.1843 ± 0.0017 Å
• b: 15.077 ± 0.003 Å
• c: 20.042 ± 0.004 Å
• α: 90°
• β: 92.245 ± 0.003°
• γ: 90°
• Cell volume: 2471.2 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No