Information card for entry 7117572

Structure parameters

• Formula: C31 H28 Cl5 N4 Zn
• Calculated formula: C31 H28 Cl5 N4 Zn
• Title of publication: Multiple single-crystal-to-single-crystal guest exchange in a dynamic 1D coordination polymer.
• Authors of publication: Martí-Rujas, Javier; Bonafede, Simone; Tushi, Dorearta; Cametti, Massimo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 62
• Pages of publication: 12357 - 12360
• a: 14.6608 ± 0.0009 Å
• b: 22.7977 ± 0.0016 Å
• c: 9.9218 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3316.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2231
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No