Information card for entry 4336339

Structure parameters

• Formula: C48 H108 F12 P6 Pt2 Tl2
• Calculated formula: C48 H108 F12 P6 Pt2 Tl2
• SMILES: CC([P](C(C)(C)C)([Pt]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Tl])C(C)(C)C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A Highly Efficient Luminescent Pt2Tl2 Chain with a Short TlI-TlI Interaction
• Authors of publication: Sirous Jamali; Mona M. Ashtiani; Zahra Jamshidi; Elena Lalinde; M. Teresa Moreno; Hamidreza Samouei; Eduardo Escudero-Adán; Jordi Benet-Buchholz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10729 - 10731
• a: 11.4776 ± 0.0004 Å
• b: 16.3213 ± 0.0005 Å
• c: 17.6486 ± 0.0006 Å
• α: 90°
• β: 106.113 ± 0.001°
• γ: 90°
• Cell volume: 3176.22 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No