Information card for entry 7104334

Structure parameters

• Formula: C21 H15 F6 N3 O8 Pb S2
• Calculated formula: C21 H15 F6 N3 O8 Pb S2
• Title of publication: Self-sorting of equilibrating metallosupramolecular DCLs via constitutional crystallization.
• Authors of publication: Barboiu, Mihail; Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 2192 - 2194
• a: 15.8406 ± 0.0005 Å
• b: 16.1462 ± 0.0004 Å
• c: 40.5039 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10359.5 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for all reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No