Information card for entry 7034977

Structure parameters

• Formula: C12 H9 Cl2 N2 O5.5 Zn
• Calculated formula: C12 H9 Cl2 N2 O5.5 Zn
• Title of publication: Exceptional sensitivity to the synthetic approach and halogen substituent for Zn(ii) coordination assemblies with 5-halonicotinic acids.
• Authors of publication: Li, Cheng-Peng; Chen, Jing; Mu, Yu-Hai; Du, Miao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11109 - 11118
• a: 7.7158 ± 0.0008 Å
• b: 7.7397 ± 0.0008 Å
• c: 25.946 ± 0.003 Å
• α: 90°
• β: 98.273 ± 0.002°
• γ: 90°
• Cell volume: 1533.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No