Information card for entry 4348673

Structure parameters

• Formula: C52 H78 N2 P4 Pt2
• Calculated formula: C52 H78 N2 P4 Pt2
• SMILES: C(#Cc1cccc(c1)/N=N/c1cccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c2ccccc2)c1)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccccc1
• Title of publication: Impact of the Alkyne Substitution Pattern and Metalation on the Photoisomerization of Azobenzene-Based Platinum(II) Diynes and Polyynes.
• Authors of publication: Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Skelton, Jonathan M.; Molloy, Kieran C.; Raithby, Paul R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 10955 - 10967
• a: 18.7794 ± 0.0004 Å
• b: 10.5232 ± 0.0002 Å
• c: 14.8114 ± 0.0003 Å
• α: 90°
• β: 110.929 ± 0.003°
• γ: 90°
• Cell volume: 2733.91 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0396
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No