Information card for entry 8000114

Structure parameters

• Formula: C8 H9 Br N O5 Zn
• Calculated formula: C8 H9 Br N O5 Zn
• Title of publication: Two New Coordination Polymers Based on Hexanuclear Metal Cluster Cores
• Authors of publication: Chen, Jinxi; Ohba, Masaaki; Kitagawa, Susumu
• Journal of publication: Chemistry Letters
• Year of publication: 2006
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 526
• a: 16.0568 ± 0.0011 Å
• b: 16.0568 ± 0.0011 Å
• c: 7.6324 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1704.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No