Information card for entry 7022959

Structure parameters

• Formula: C14 H12 Cd N6 O6
• Calculated formula: C14 H12 Cd N6 O6
• SMILES: c1ccc2c3[n]1[Cd]1([n]4cccc5c4c(O1)n[nH]c5=O)(Oc3n[nH]c2=O)([OH2])[OH2]
• Title of publication: New Cd2+, Pb2+ complexes with acylhydrazidate molecules from in situ acylation reactions.
• Authors of publication: Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Wang, Yan-Ning; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8771 - 8780
• a: 13.216 ± 0.003 Å
• b: 5.31 ± 0.0011 Å
• c: 10.982 ± 0.002 Å
• α: 90°
• β: 100.69 ± 0.03°
• γ: 90°
• Cell volume: 757.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No