Information card for entry 1563304

Structure parameters

• Formula: C36 H34 Cd N10 O6
• Calculated formula: C36 H30 Cd N10 O6
• SMILES: c12c3ccc[n]1[Cd]1([n]4c2c(c2c3[nH]c(n2)c2cnccc2)ccc4)([n]2c3c(ccc2)c2c(c4ccc[n]1c34)nc([nH]2)c1cnccc1)(O)O.O.O.O.O
• Title of publication: A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands
• Authors of publication: Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 2
• Pages of publication: 280 - 288
• a: 13.805 ± 0.005 Å
• b: 9.278 ± 0.005 Å
• c: 25.858 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3312 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No