Information card for entry 7033058

Structure parameters

• Formula: C58 H70 N12 O4
• Calculated formula: C58 H70 N12 O4
• SMILES: O1CCOc2ccc(cc2)CN(CCC#N)CCN(CCN(Cc2ccc(cc2)OCCOc2ccc(cc2)CN(CCC#N)CCN(CCN(Cc2ccc1cc2)CCC#N)CCC#N)CCC#N)CCC#N
• Title of publication: Silver coordination polymers with tri- and hexacyanoethyl-functionalized macrocyclic ligands.
• Authors of publication: Ma, Zhen; Shi, Huaduan; Deng, Xiuqiang; Guedes da Silva, M Fátima C; Martins, Luísa M D R S; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1388 - 1396
• a: 16.377 ± 0.004 Å
• b: 17.142 ± 0.005 Å
• c: 9.573 ± 0.003 Å
• α: 90°
• β: 93.614 ± 0.008°
• γ: 90°
• Cell volume: 2682.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No