Information card for entry 7001877

Structure parameters

• Formula: C7 H10 Cl N4 O Zn
• Calculated formula: C7 H10 Cl N4 O Zn
• 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: 9.812 ± 0.002 Å
• b: 8.6012 ± 0.0017 Å
• c: 12.571 ± 0.003 Å
• α: 90°
• β: 96.91 ± 0.03°
• γ: 90°
• Cell volume: 1053.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No