Information card for entry 7016401

Structure parameters

• Formula: C16 H15 Br N2 O4 Pt
• Calculated formula: C16 H15 Br N2 O4 Pt
• SMILES: [Pt]12([n]3c(oc(OCC)c3)c3c2c(ccc3)c2oc(OCC)c[n]12)Br
• Title of publication: Palladium(ii)- and platinum(ii)phenyl-2,6-bis(oxazole) pincer complexes: Syntheses, crystal structures, and photophysical properties.
• Authors of publication: Xu, Gang; Luo, Qunli; Eibauer, Stefan; Rausch, Andreas F.; Stempfhuber, Sabine; Zabel, Manfred; Yersin, Hartmut; Reiser, Oliver
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8800 - 8806
• a: 33.697 ± 0.004 Å
• b: 5.2354 ± 0.0004 Å
• c: 19.994 ± 0.002 Å
• α: 90°
• β: 96.702 ± 0.014°
• γ: 90°
• Cell volume: 3503.2 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0513
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No