Information card for entry 4083514

Structure parameters

• Formula: C59 H70 Cl2 N2 O3 Pt
• Calculated formula: C59 H70 Cl2 N2 O3 Pt
• SMILES: c12ccccc1ccc(c1ccccc1)[n]2[Pt](C#Cc1cc(ccc1)OC)(C#Cc1cc(ccc1)OC)C#Cc1cc(ccc1)OC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(Cl)Cl
• Title of publication: Synthesis, Structural, and Photophysical Studies of Phenylquinoline and Phenylquinolinyl Alkynyl Based Pt(II) Complexes
• Authors of publication: Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3078
• a: 14.584 ± 0.0002 Å
• b: 15.945 ± 0.0003 Å
• c: 22.783 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5298 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No