Information card for entry 7041137

Structure parameters

• Formula: C30.75 H28.75 Br2 Cl2 N4 Zn
• Calculated formula: C30.68 H28.68 Br2 Cl2.04 N4 Zn
• Title of publication: Selective adsorption of chlorinated volatile organic compound vapours by microcrystalline 1D coordination polymers.
• Authors of publication: Cametti, Massimo; Martí-Rujas, Javier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 18832 - 18837
• a: 14.6557 ± 0.001 Å
• b: 22.6968 ± 0.0016 Å
• c: 10.1625 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3380.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No