Information card for entry 7021170

Structure parameters

• Formula: C14 H22 Cl N3 O2 Pt
• Calculated formula: C14 H22 Cl N3 O2 Pt
• SMILES: [Pt]1(\C=C\c2cc(ccc2)N(=O)=O)(Cl)[N](CC[N]1(C)C)(C)C
• Title of publication: Photo-isomerisation of alkenyl complexes of platinum(ii): structural, spectroscopic, kinetic and computational investigations.
• Authors of publication: Barone, Carmen R.; Coletti, Cecilia; McQuitty, Ruth J.; Farrer, Nicola J.; Lorusso, Giuseppe; Maresca, Luciana; Marrone, Alessandro; Natile, Giovanni; Pacifico, Concetta; Parsons, Simon; Re, Nazzareno; Sadler, Peter J.; White, Fraser J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6840 - 6851
• a: 27.2807 ± 0.0007 Å
• b: 8.1215 ± 0.0002 Å
• c: 15.6844 ± 0.0004 Å
• α: 90°
• β: 97.4263 ± 0.0019°
• γ: 90°
• Cell volume: 3445.89 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No