Information card for entry 7216352

Structure parameters

• Formula: C8 H11 As Cl Cu N3 O5
• Calculated formula: C8 H7 As Cl Cu N3 O5
• Title of publication: Exploring the coordination chemistry of bifunctional organoarsonate ligands: syntheses and characterisation of coordination polymers that contain 4-(1,2,4-triazol-4-yl)phenylarsonic acid
• Authors of publication: Lin, Jian-Di; Clérac, Rodolphe; Rouzières, Mathieu; Venkatesan, Munuswamy; Chimamkpam, Theresa O.; Schmitt, Wolfgang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 7894
• a: 20.454 ± 0.004 Å
• b: 7.7512 ± 0.0016 Å
• c: 8.4433 ± 0.0017 Å
• α: 90°
• β: 102.15 ± 0.03°
• γ: 90°
• Cell volume: 1308.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No