Information card for entry 7105263

Structure parameters

• Common name: Chloro-(2-(pyridin-2-ylmethylamino)ethane-1,1- diyldiphosphonic acid) -platinum(ii)deuterium oxide solvate
• Chemical name: Chloro-(2-(pyridin-2-ylmethylamino)ethane-1,1-diyldiphosphonic acid) -platinum(ii)deuterium oxide solvate
• Formula: C8 H9 Cl D6 N2 O7 P2 Pt
• Calculated formula: C8 H9 Cl D6 N2 O7 P2 Pt
• SMILES: c1cccc2C[N]3(CC(P(=O)(O[Pt]3(Cl)[n]12)O[2H])P(=O)(O[2H])O[2H])[2H].O([2H])[2H]
• 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: 11.2339 ± 0.001 Å
• b: 16.9052 ± 0.0015 Å
• c: 7.7957 ± 0.0007 Å
• α: 90°
• β: 94.529 ± 0.001°
• γ: 90°
• Cell volume: 1475.9 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0509
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No