Information card for entry 1545771

Structure parameters

• Formula: C72 H83 Cl0 F0 N6 O0 P Pt2 S
• Calculated formula: C72 H83 N6 P Pt2 S
• SMILES: [Pt]12([n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C)C#CC1=C2CCCCC2=C(P1(=S)c1ccccc1)C#C[Pt]12[n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Supramolecular assembly of a phosphole-based moiety into nanostructures dictated by alkynylplatinum(ii) terpyridine complexes through non-covalent Pt⋯Pt and π‒π stacking interactions: synthesis, characterization, photophysics and self-assembly behaviors
• Authors of publication: Leung, Sammual Yu-Lut; Evariste, Sloane; Lescop, Christophe; Hissler, Muriel; Yam, Vivian Wing-Wah
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 13.7722 ± 0.0006 Å
• b: 39.9563 ± 0.0016 Å
• c: 17.7098 ± 0.0007 Å
• α: 90°
• β: 97.536 ± 0.003°
• γ: 90°
• Cell volume: 9661.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1478
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No