Information card for entry 4345840

Structure parameters

• Formula: C16 H10 Br Cl N2 Pt
• Calculated formula: C16 H10 Br Cl N2 Pt
• SMILES: [Pt]12(c3c(c4[n]1cccc4)cc(Br)cc3c1[n]2cccc1)Cl
• Title of publication: Excimer-Monomer Photoluminescence Mechanochromism and Vapochromism of Pentiptycene-Containing Cyclometalated Platinum(II) Complexes.
• Authors of publication: Lin, Che-Jen; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 4978 - 4989
• a: 9.255 ± 0.0005 Å
• b: 11.4996 ± 0.0007 Å
• c: 13.95 ± 0.0008 Å
• α: 96.103 ± 0.005°
• β: 97.521 ± 0.005°
• γ: 98.582 ± 0.005°
• Cell volume: 1443.39 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No