Information card for entry 2240156

Structure parameters

• Chemical name: Chlorido{4,5-dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(piperidine-κ<i>N</i>)platinum(II) ethanol monosolvate
• Formula: C18 H30 Cl N O3 Pt
• Calculated formula: C18 H30 Cl N O3 Pt
• SMILES: c12cc(c(cc1C[CH]1=[CH2][Pt]21([NH]1CCCCC1)Cl)OC)OC.CCO
• Title of publication: Crystal structure of chlorido{4,5-dimethoxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κ<i>C</i>^1^}(piperidine-κ<i>N</i>)platinum(II) ethanol monosolvate
• Authors of publication: Mangwala Kimpende, Peter; Thi Da, Tran; Nguyen Huu, Dinh; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 435 - 437
• a: 8.528 ± 0.0002 Å
• b: 8.752 ± 0.0002 Å
• c: 13.3309 ± 0.0003 Å
• α: 97.905 ± 0.001°
• β: 97.684 ± 0.001°
• γ: 99.88 ± 0.001°
• Cell volume: 958.21 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes