Information card for entry 7013455

Structure parameters

• Formula: C67 H97 Cl0 N7 O2 Pt
• Calculated formula: C67 H95 N7 O2 Pt
• SMILES: [Pt](C#Cc1ccncc1)(C#Cc1ccncc1)(C#Cc1ccncc1)C#Cc1ccncc1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.n1ccc(C#C)cc1.O.O
• Title of publication: Synthesis, characterization and luminescence properties of homoleptic platinum(II) acetylide complexes
• Authors of publication: José Benito; Jesús R. Berenguer; Juan Forniés; Belén Gil; Julio Gómez; Elena Lalinde
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4331 - 4339
• a: 13.5652 ± 0.0002 Å
• b: 17.1763 ± 0.0003 Å
• c: 14.2647 ± 0.0003 Å
• α: 90°
• β: 105.22 ± 0.001°
• γ: 90°
• Cell volume: 3207.1 ± 0.1 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No