Information card for entry 7001875

Structure parameters

• Formula: C27 H27 Cl4 N21 O3 Zn5
• Calculated formula: C26.97 H6 Cl4 N20.96 O2.97 Zn5
• Title of publication: A cubic coordination framework constructed from benzobistriazolate ligands and zinc ions having selective gas sorption properties
• Authors of publication: Biswas, Shyam; Grzywa, Maciej; Nayek, Hari Pada; Dehnen, Stefanie; Senkovska, Irena; Kaskel, Stefan; Volkmer, Dirk
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 33
• Pages of publication: 6487 - 6495
• a: 21.697 ± 0.003 Å
• b: 21.697 ± 0.003 Å
• c: 21.697 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10214 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No