Information card for entry 7012430

Structure parameters

• Formula: C43 H50.5 N4 Pt
• Calculated formula: C43 H50.5 N4 Pt
• SMILES: [Pt]1(c2c3c4[n]1cccc4ccc3ccc2)(C#Cc1ncccc1)C#Cc1ncccc1.[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: 19.3798 ± 0.0002 Å
• b: 16.8231 ± 0.0002 Å
• c: 25.298 ± 0.0004 Å
• α: 90°
• β: 108.976 ± 0.0005°
• γ: 90°
• Cell volume: 7799.62 ± 0.18 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: 0.0834
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No