Information card for entry 2228491

Structure parameters

• Chemical name: Triaqua(benzene-1,3-dicarboxylato)(4,5-diazafluoren-9-one)cadmium(II) pentahydrate
• Formula: C19 H26 Cd N2 O13
• Calculated formula: C19 H26 Cd N2 O13
• Title of publication: Triaqua(benzene-1,3-dicarboxylato)(4,5-diazafluoren-9-one)cadmium(II) pentahydrate
• Authors of publication: Fang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1572 - m1573
• a: 7.1218 ± 0.0006 Å
• b: 31.893 ± 0.003 Å
• c: 11.0278 ± 0.0009 Å
• α: 90°
• β: 106.579 ± 0.001°
• γ: 90°
• Cell volume: 2400.7 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes