Information card for entry 7012429

Structure parameters

• Formula: C45 H54 N2 Pt
• Calculated formula: C45 H54 N2 Pt
• SMILES: [Pt]1(c2c3c4[n]1cccc4ccc3ccc2)(C#Cc1ccccc1)C#Cc1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Synthesis, structural characterisation and photophysics of anionic cyclometalated bis(alkynyl)(benzo[h]quinolinate)platinate(ii) species
• Authors of publication: Fernández, Susana; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 822
• a: 20.7488 ± 0.0004 Å
• b: 8.6637 ± 0.0002 Å
• c: 24.5454 ± 0.0006 Å
• α: 90°
• β: 113.382 ± 0.0008°
• γ: 90°
• Cell volume: 4049.97 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No