Information card for entry 4309930

Structure parameters

• Formula: C8 H4 Cl N2 O Tl
• Calculated formula: C8 H4 Cl N2 O Tl
• Title of publication: Double-Stranded Metal-Organic Networks for One-Dimensional Mixed Valence Coordination Polymers
• Authors of publication: Daniel Robertson; John F. Cannon; Nikolay Gerasimchuk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8326 - 8342
• a: 3.8382 ± 0.0007 Å
• b: 11.0065 ± 0.0018 Å
• c: 20.901 ± 0.004 Å
• α: 90°
• β: 92.447 ± 0.003°
• γ: 90°
• Cell volume: 882.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1661
• 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