Information card for entry 7115130

Structure parameters

• Formula: C28 H20 N2 O4 Zn
• Calculated formula: C28 H20 N2 O4 Zn
• Title of publication: NLO-active zinc(ii) and cadmium(ii) coordination networks with 8-fold diamondoid structures
• Authors of publication: Lin, Wenbin; Ma, Ling; Evans, Owen R.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 2263
• a: 21.522 ± 0.003 Å
• b: 8.8667 ± 0.0011 Å
• c: 13.0464 ± 0.0016 Å
• α: 90°
• β: 95.207 ± 0.002°
• γ: 90°
• Cell volume: 2479.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No