Information card for entry 7001325

Structure parameters

• Formula: C22 H25 Br2 Cd N2 Na O7
• Calculated formula: C22 H25 Br2 Cd N2 Na O7
• SMILES: c1(cc(cc2c1O[Cd]13([N](=C2)CCC[N]3=Cc2c(O1)c(OC)cc(Br)c2)OC(=O)C)Br)OC.[Na+].OC
• Title of publication: Multinuclear Cd2, Cd3 and 1-D framework structures of Cd(II) Schiff base complexes
• Authors of publication: Agapiou, Kyriacos; Mejía, Michelle L.; Yang, Xiaoping; Holliday, Bradley J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4154 - 4159
• a: 13.7004 ± 0.0003 Å
• b: 7.6677 ± 0.0002 Å
• c: 25.5552 ± 0.0006 Å
• α: 90 ± 0.005°
• β: 99.4209 ± 0.0009°
• γ: 90 ± 0.005°
• Cell volume: 2648.38 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No