Information card for entry 7109824

Structure parameters

• Formula: C15 H11 Cl2 N3 O4 Pt
• Calculated formula: C15 H11 Cl2 N3 O4 Pt
• SMILES: [Pt]12(Cl)[n]3ccccc3c3cccc([n]13)c1cccc[n]21.Cl(=O)(=O)(=O)[O-]
• Title of publication: Between red and yellow: evidence of intermediates in a vapochromic Pt(II) salt
• Authors of publication: Stephen D. Taylor; Amie E. Norton; Robert T. Hart; Mahmood K. Abdolmaleki; Jeanette A. Krause; William B. Connick
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9161
• a: 7.0189 ± 0.0003 Å
• b: 16.8805 ± 0.0008 Å
• c: 26.8979 ± 0.0013 Å
• α: 90°
• β: 90.336 ± 0.003°
• γ: 90°
• Cell volume: 3186.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.8856 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No