Information card for entry 4327469

Structure parameters

• Chemical name: Chloro[6-(ortho-phenylene)-2,2'-bipyridine-κC,κN,κN]platinum(II) red modification
• Formula: C16 H11 Cl N2 Pt
• Calculated formula: C16 H11 Cl N2 Pt
• SMILES: [Pt]12([n]3c(c4[n]1cccc4)cccc3c1ccccc21)Cl
• Title of publication: Cyclometalated Analogues of Platinum Terpyridine Complexes: Kinetic Study of the Strong σ-Donor Cis and Trans Effects of Carbon in the Presence of a π-Acceptor Ligand Backbone
• Authors of publication: Andreas Hofmann; Lutz Dahlenburg; Rudi van Eldik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6528 - 6538
• a: 8.88 ± 0.005 Å
• b: 12.336 ± 0.005 Å
• c: 13.624 ± 0.003 Å
• α: 102.1 ± 0.03°
• β: 102.13 ± 0.03°
• γ: 104.07 ± 0.04°
• Cell volume: 1360.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No