Information card for entry 4327494

Structure parameters

• Formula: C18 H13 Cl N2 O2 Pt
• Calculated formula: C18 H13 Cl N2 O2 Pt
• SMILES: [Pt]12(c3c(c4[n]1cccc4)cc(cc3c1[n]2cccc1)C(=O)OC)Cl
• Title of publication: An Alternative Route to Highly Luminescent Platinum(II) Complexes: Cyclometalation with N^C^N-Coordinating Dipyridylbenzene Ligands
• Authors of publication: J. A. Gareth Williams; Andrew Beeby; E. Stephen Davies; Julia A. Weinstein; Claire Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8609 - 8611
• a: 7.4042 ± 0.0005 Å
• b: 12.9869 ± 0.0009 Å
• c: 16.4071 ± 0.0012 Å
• α: 90°
• β: 91.482 ± 0.001°
• γ: 90°
• Cell volume: 1577.14 ± 0.19 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: 0.0256
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No