Information card for entry 4333530

Structure parameters

• Formula: C23 H18 Cl2 N2 Pt
• Calculated formula: C22 H16 N2 Pt
• SMILES: [Pt]12(c3c(cccc3)c3c2cccc3)[n]2ccccc2c2cccc[n]12
• Title of publication: Electronic and Photophysical Properties of Platinum(II) Biphenyl Complexes Containing 2,2'-Bipyridine and 1,10-Phenanthroline Ligands
• Authors of publication: D. Paul Rillema; Arvin J. Cruz; Curtis Moore; Khamis Siam; A. Jehan; Derek Base; T. Nguyen; Wei Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 596 - 607
• a: 38.6769 ± 0.0007 Å
• b: 38.6769 ± 0.0007 Å
• c: 9.7217 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14542.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No