Information card for entry 7034979

Structure parameters

• Formula: C26.5 H24 Br4 N4 O11.5 Zn2
• Calculated formula: C24 H14 Br4 N4 O9 Zn2
• 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: 14.91 ± 0.003 Å
• b: 17.044 ± 0.003 Å
• c: 14.696 ± 0.003 Å
• α: 90°
• β: 120.49 ± 0.02°
• γ: 90°
• Cell volume: 3218.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No