Information card for entry 7001326

Structure parameters

• Formula: C48 H60 Br4 Cd3 N4 O15
• Calculated formula: C48 H60 Br4 Cd3 N4 O15
• SMILES: [Cd]1234([N]5=Cc6cc(Br)cc7[O]([Cd]89([O]2c67)([O]3c2c(C=[N]1CCC5)cc(Br)cc2OC)[O](C)c1cc(Br)cc2c1[O]8[Cd]136([N](=C2)CCC[N]1=Cc1cc(Br)cc(OC)c1[O]93)[O]=C(O6)C)C)[O]=C(O4)C.CCOCC.CO.CO
• 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: 17.088 ± 0.003 Å
• b: 13.312 ± 0.003 Å
• c: 25.861 ± 0.005 Å
• α: 90°
• β: 103.27 ± 0.03°
• γ: 90°
• Cell volume: 5726 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.1056
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No