Information card for entry 7705342

Structure parameters

• Formula: C39 H28.33 Cu2 N2.33 O8.33 S4
• Calculated formula: C39 H28.3333 Cu2 N2.33333 O8.33333 S4
• 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: 10.39 ± 0.006 Å
• b: 21.68 ± 0.006 Å
• c: 21.91 ± 0.006 Å
• α: 115.86 ± 0.05°
• β: 103.91 ± 0.05°
• γ: 93.65 ± 0.05°
• Cell volume: 4230 ± 4 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: 0.163
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.267
• Weighted residual factors for all reflections included in the refinement: 0.3117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.82643 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No