Information card for entry 2205293

Structure parameters

• Chemical name: Poly[[[(2,2'-bipyridine)copper(II)]-hemi(μ~2~-2-nitroterephthalato)hemi(μ~4~- 2-nitroterephthalato)] monohydrate]
• Formula: C18 H13 Cu N3 O7
• Calculated formula: C18 H13 Cu N3 O7
• Title of publication: Poly[[[(2,2'-bipyridine)copper(II)]-hemi-μ~2~-2-nitroterephthalato-hemi-μ~4~-2-nitroterephthalato] monohydrate]
• Authors of publication: Ma, Ai-Qing; Zhu, Long-Guan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m483 - m484
• a: 9.537 ± 0.001 Å
• b: 9.95 ± 0.001 Å
• c: 11.363 ± 0.001 Å
• α: 94.156 ± 0.002°
• β: 107.839 ± 0.002°
• γ: 113.535 ± 0.002°
• Cell volume: 917.31 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes