Information card for entry 7115129

Structure parameters

• Formula: C28 H20 Cd N2 O4
• Calculated formula: C28 H20 Cd N2 O4
• 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: 22.25 ± 0.004 Å
• b: 9.1085 ± 0.0017 Å
• c: 12.503 ± 0.002 Å
• α: 90°
• β: 96.359 ± 0.003°
• γ: 90°
• Cell volume: 2518.3 ± 0.8 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: 0.1012
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No