Information card for entry 2240517

Structure parameters

• Chemical name: {Bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}chloridoplatinum(II) chloride dihydrate
• Formula: C14 H27 Cl2 N5 O2 Pt
• Calculated formula: C14 H27 Cl2 N5 O2 Pt
• SMILES: [Pt]12(Cl)[n]3n(c(cc3C)C)CC[NH]1CCn1[n]2c(cc1C)C.[Cl-].O.O
• Title of publication: Crystal structure of {bis[2-(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)ethyl]amine-κ<i>N</i>}chloridoplatinum(II) chloride dihydrate
• Authors of publication: Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: m98 - m99
• a: 7.944 ± 0.004 Å
• b: 22.523 ± 0.004 Å
• c: 11.783 ± 0.002 Å
• α: 90°
• β: 109.34 ± 0.02°
• γ: 90°
• Cell volume: 1989.3 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1383
• 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: Yes