Information card for entry 1508823

Structure parameters

• Formula: C48 H53 N O7 Pt
• Calculated formula: C48 H53 N O7 Pt
• SMILES: [Pt]12(c3c(c4[n]2cccc4)c2oc4ccccc4c2cc3)OC(=CC(=[O]1)c1cc(OCCCC)c(OCCCC)cc1)c1cc(OCCCC)c(OCCCC)cc1
• Title of publication: Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand
• Authors of publication: Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 1
• Pages of publication: 532
• a: 18.3993 ± 0.0003 Å
• b: 8.58214 ± 0.00016 Å
• c: 27.5862 ± 0.0019 Å
• α: 90°
• β: 106.182 ± 0.008°
• γ: 90°
• Cell volume: 4183.4 ± 0.3 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No