Information card for entry 2217556

Structure parameters

• Chemical name: Diaquabis(9-oxo-4,5-diazafluoren-3-olato- κ^2^<i>N</i>^4^,<i>O</i>^3^)cadmium(II)
• Formula: C22 H14 Cd N4 O6
• Calculated formula: C22 H14 Cd N4 O6
• SMILES: [Cd]12([n]3c(ccc4C(=O)c5cccnc5c34)O1)([n]1c(ccc3C(=O)c4cccnc4c13)O2)([OH2])[OH2]
• Title of publication: Diaquabis(9-oxo-4,5-diazafluoren-3-olato-κ^2^<i>N</i>^4^,<i>O</i>^3^)cadmium(II)
• Authors of publication: Ya-Hui Zhao; Xing Yuan; Wei-Chao Qin; Lian-Xi Sheng; Yun-Zheng Ding
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m266 - m266
• a: 28.19 ± 0.005 Å
• b: 5.572 ± 0.004 Å
• c: 13.933 ± 0.005 Å
• α: 90°
• β: 110.622 ± 0.005°
• γ: 90°
• Cell volume: 2048.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0384
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes