Information card for entry 7001002

Structure parameters

• Formula: C64 H42 Al F36 N4 O4 P2 Tl
• Calculated formula: C64 H42 Al F36 N4 O4 P2 Tl
• Title of publication: Mono-, di- and polymetallic TlI complexes stabilized by a 2,5-bis(2-pyridyl)-1-phenyl-phosphole ligand
• Authors of publication: Welsch, Stefan; Lescop, Christophe; Réau, Régis; Scheer, Manfred
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2683 - 2686
• a: 11.3378 ± 0.0003 Å
• b: 17.5125 ± 0.0004 Å
• c: 18.9823 ± 0.0005 Å
• α: 111.984 ± 0.0011°
• β: 91.1627 ± 0.0012°
• γ: 98.9673 ± 0.001°
• Cell volume: 3439.48 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No