Information card for entry 8104996

Structure parameters

• Formula: C8 H3 Br O4 Zn
• Calculated formula: C8 H3 Br O4 Zn
• Title of publication: The crystal structure of poly[(m4-4-bromoisophthalato-κ4O: O′:O′′:O′′′)zinc(II)], C8H3BrO4Zn
• Authors of publication: Chang, Xin-Hong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 3 - 4
• a: 4.7134 ± 0.0004 Å
• b: 15.4354 ± 0.0013 Å
• c: 12.0064 ± 0.0009 Å
• α: 90°
• β: 98.942 ± 0.008°
• γ: 90°
• Cell volume: 862.89 ± 0.12 ų
• Cell temperature: 292.67 ± 0.1 K
• Ambient diffraction temperature: 292.67 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0371
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No