Information card for entry 4511672

Structure parameters

• Formula: C32 H36 N8 O14 Zn2
• Calculated formula: C32 H36 N8 O14 Zn2
• SMILES: C1c2cccc[n]2[Zn]23([N]=1O)([N](=Cc1[n]2cccc1)O)OC(=O)CCC(=O)O[Zn]12([N](=Cc4cccc[n]14)O)([N](=Cc1cccc[n]21)O)OC(=O)CCC(=O)O3.O.O
• Title of publication: Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity
• Authors of publication: Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 3935
• a: 9.5986 ± 0.0007 Å
• b: 9.6754 ± 0.0007 Å
• c: 10.1798 ± 0.0007 Å
• α: 79.665 ± 0.006°
• β: 82.116 ± 0.006°
• γ: 87.581 ± 0.006°
• Cell volume: 921.12 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No