Information card for entry 4350480

Structure parameters

• Formula: C11 H10 Br0.58 Cl1.42 N4 O Zn
• Calculated formula: C11 H10 Br0.576 Cl1.424 N4 O Zn
• Title of publication: Anion separation by selective crystallization of metal-organic frameworks.
• Authors of publication: Custelcean, Radu; Haverlock, Tamara J.; Moyer, Bruce A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6446 - 6452
• a: 18.3673 ± 0.0012 Å
• b: 9.878 ± 0.0006 Å
• c: 15.9371 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2891.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No