Information card for entry 4348642

Structure parameters

• Formula: C43 H32 P2 Pt S3
• Calculated formula: C43 H32 P2 Pt S3
• SMILES: c12c(ccs2)c2ccc(c3c(C#C[Pt]4(C#C1)[P](c1ccccc1)(c1ccccc1)CCC[P]4(c1ccccc1)c1ccccc1)scc3)s2
• Title of publication: Dual-Emissive Platinum(II) Metallacycles with Thiophene-Containing Bisacetylide Ligands.
• Authors of publication: Cao, Yang; Wolf, Michael O.; Patrick, Brian O.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8985 - 8993
• a: 24.723 ± 0.002 Å
• b: 11.8714 ± 0.0011 Å
• c: 27.514 ± 0.003 Å
• α: 90°
• β: 116.312 ± 0.002°
• γ: 90°
• Cell volume: 7238.6 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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 all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No