Information card for entry 7214299

Structure parameters

• Formula: C42 H40 Cu2 N10 O4 Zn
• Calculated formula: C42 H40 Cu2 N10 O4 Zn
• SMILES: C(=N[Zn]1([O]2c3ccccc3C(C)=[N]3[Cu]452[N](=C(c2c(cccc2)[O]4[Cu]246[N](=C(c7c(cccc7)[O]54)C)CCC[N]2=C(C)c2ccccc2[O]16)C)CCC3)N=C=NC#N)=NC#N
• Title of publication: Discrete 0D and polymeric 2D and 3D derivatives assembled from [(CuL)2Zn]2+ and dicyanamide blocks (H2L = salen type Schiff bases): Genuine supramolecular isomers with distinct topologies
• Authors of publication: Das, Lakshmi Kanta; Kirillov, Alexander M.; Ghosh, Ashutosh
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 3029
• a: 22.463 ± 0.004 Å
• b: 10.3101 ± 0.0019 Å
• c: 17.114 ± 0.003 Å
• α: 90°
• β: 90.427 ± 0.002°
• γ: 90°
• Cell volume: 3963.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No