Information card for entry 4502749

Structure parameters

• Formula: C52 H44 N8 O8 Zn2
• Calculated formula: C52 H44 N8 O8 Zn2
• SMILES: CC1=CC(c2cccc(c2)n2nccc2)=[O][Zn]23(O1)OC(=CC(=[O]2)c1cc(n2[n](ccc2)[Zn]24([O]=C(C)C=C(c5cc(ccc5)n5nccc5)O2)OC(=CC(=[O]4)c2cc(n4[n]3ccc4)ccc2)C)ccc1)C
• Title of publication: Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands
• Authors of publication: Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 99
• a: 7.92 ± 0.03 Å
• b: 10.9 ± 0.04 Å
• c: 14.83 ± 0.05 Å
• α: 71.19 ± 0.09°
• β: 87.24 ± 0.09°
• γ: 74.45 ± 0.06°
• Cell volume: 1166 ± 7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No