Information card for entry 7104332

Structure parameters

• Formula: C59 H45 F6 N9 O6 Pb S2
• Calculated formula: C59 H45 F6 N9 O6 Pb S2
• SMILES: [Pb]123456([n]7c(cccc7C=[N]1c1ccccc1)C=[N]2c1ccccc1)([n]1c(cccc1C=[N]3c1ccccc1)C=[N]4c1ccccc1)([n]1c(cccc1C=[N]5c1ccccc1)C=[N]6c1ccccc1).S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• 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: 21.7258 ± 0.00013 Å
• b: 10.8837 ± 0.0005 Å
• c: 23.8728 ± 0.0006 Å
• α: 90°
• β: 103.488 ± 0.004°
• γ: 90°
• Cell volume: 5489.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for all reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0202
• Weighted residual factors for all reflections included in the refinement: 0.0202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No