Information card for entry 4313245

Structure parameters

• Formula: C7 H13 Cl2 N3 O Pt
• Calculated formula: C7 H7 Cl2 N3 O Pt
• SMILES: [Pt]12(Cl)[n]3c(C[NH2]1)cccc3C[NH2]2.[Cl-].O
• Title of publication: Electronic Tuning of the Lability of Pt(II) Complexes through π-Acceptor Effects. Correlations between Thermodynamic, Kinetic, and Theoretical Parameters
• Authors of publication: Andreas Hofmann; Deogratius Jaganyi; Orde Q. Munro; Günter Liehr; Rudi van Eldik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1688 - 1700
• a: 7.073 ± 0.005 Å
• b: 8.747 ± 0.005 Å
• c: 9.812 ± 0.005 Å
• α: 73.28 ± 0.02°
• β: 81.5 ± 0.02°
• γ: 78.1 ± 0.02°
• Cell volume: 566.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0449
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No