Information card for entry 2020322

Structure parameters

• Chemical name: Poly[di-μ-chlorido-(μ-3,5-diaminobenzoato-κ^2^<i>O</i>:<i>O</i>')tricopper(I)(3 <i>Cu</i>—<i>Cu</i>)]
• Formula: C7 H7 Cl2 Cu3 N2 O2
• Calculated formula: C7 H7 Cl2 Cu3 N2 O2
• Title of publication: An unusual coordination polymer containing Cu^+^ ions and featuring possible Cu···Cu `cuprophilic' interactions: poly[di-μ-chlorido-(μ~4~-3,5-diaminobenzoato-κ^4^<i>O</i>:<i>O</i>':<i>N</i>:<i>N</i>')tricopper(I)(3 <i>Cu</i>—<i>Cu</i>)]
• Authors of publication: Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 63 - 67
• a: 14.4127 ± 0.0002 Å
• b: 10.8942 ± 0.0002 Å
• c: 20.2348 ± 0.0004 Å
• α: 90°
• β: 104.84 ± 0.0007°
• γ: 90°
• Cell volume: 3071.2 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes