Information card for entry 4502748

Structure parameters

• Formula: C36 H28 Cl6 N4 O4 Zn
• Calculated formula: C36 H28 Cl6 N4 O4 Zn
• 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: 13.142 ± 0.0011 Å
• b: 9.5179 ± 0.0008 Å
• c: 14.8006 ± 0.0012 Å
• α: 90°
• β: 107.726 ± 0.001°
• γ: 90°
• Cell volume: 1763.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No