Information card for entry 7705341

Structure parameters

• Formula: C18.5 H18.5 Cu N1.5 O5.5 S2
• Calculated formula: C18.5 H18.5 Cu N1.5 O5.5 S2
• Title of publication: Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.
• Authors of publication: Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 13142 - 13151
• a: 9.96 ± 0.005 Å
• b: 10.21 ± 0.005 Å
• c: 12.06 ± 0.005 Å
• α: 102.901 ± 0.005°
• β: 100.793 ± 0.005°
• γ: 113.618 ± 0.005°
• Cell volume: 1041.4 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.82653 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No