Information card for entry 7708543

Structure parameters

• Formula: C30 H30 Cl N5 O Pt
• Calculated formula: C30 H30 Cl N5 O Pt
• SMILES: [Pt]1(C(N(c2[n]1ccc1ccccc21)C(=O)N(C)C)=Nc1c(cccc1C)C)(Cl)C#[N]c1c(C)cccc1C
• Title of publication: Deprotonated diaminocarbene platinum complexes for thermoresponsive luminescent silicone materials: both catalysts and luminophores
• Authors of publication: Dobrynin, Mikhail V.; Kasatkina, Svetlana; Baykov, Sergey; Savko, Polina; Antonov, Nikita; Mikherdov, Alexander S.; Boyarskiy, Vadim; Islamova, Regina M.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 14.117 ± 0.0001 Å
• b: 14.117 ± 0.0001 Å
• c: 27.4755 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5475.58 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No