Information card for entry 7001003

Structure parameters

• Formula: C78 H58 Al F36 N4 O4 P2 Tl
• Calculated formula: C78 H58 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: 9.6229 ± 0.0001 Å
• b: 23.3032 ± 0.0002 Å
• c: 36.1442 ± 0.0002 Å
• α: 90°
• β: 91.045 ± 0.001°
• γ: 90°
• Cell volume: 8103.79 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No