Information card for entry 4350481

Structure parameters

• Formula: C11 H10 Br0.92 I1.08 N4 O Zn
• Calculated formula: C11 H10 Br0.917 I1.083 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: 10.0935 ± 0.0009 Å
• b: 17.0287 ± 0.0016 Å
• c: 8.5845 ± 0.0008 Å
• α: 90°
• β: 104.658 ± 0.002°
• γ: 90°
• Cell volume: 1427.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No