Information card for entry 4304637

Structure parameters

• Common name: ana 327
• Formula: C46 H72 F10 N4 O2 Pt
• Calculated formula: C46 H72 F10 N4 O2 Pt
• SMILES: N#C[Pt](C#N)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[N+](CCCC)(CCCC)(CCCC)CCCC.O.[N+](CCCC)(CCCC)(CCCC)CCCC.O
• Title of publication: Luminescent One- And Two-Dimensional Extended Structures and a Loosely Associated Dimer Based on Platinum(II)-Thallium(I) Backbones
• Authors of publication: Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3651 - 3660
• a: 16.3754 ± 0.0003 Å
• b: 15.4918 ± 0.0003 Å
• c: 20.2262 ± 0.0005 Å
• α: 90°
• β: 96.728 ± 0.001°
• γ: 90°
• Cell volume: 5095.74 ± 0.19 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 1 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: 0.138
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No