Information card for entry 4329653

Structure parameters

• Formula: C27 H28 O7 Zn2
• Calculated formula: C27 H28 O7 Zn2
• SMILES: C(C)[Zn]12[O]=C(c3ccccc3)O[Zn]([O]3CCCC3)([O]=C(c3ccccc3)O1)[O]=C(c1ccccc1)O2
• Title of publication: Oxozinc Carboxylate Complexes: A New Synthetic Approach and the Carboxylate Ligand Effect on the Noncovalent-Interactions-Driven Self-Assembly
• Authors of publication: Wojciech Bury; Iwona Justyniak; Daniel Prochowicz; Anna Rola-Noworyta; Janusz Lewiński
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7410 - 7414
• a: 9.9271 ± 0.0005 Å
• b: 10.8259 ± 0.0004 Å
• c: 12.4851 ± 0.0007 Å
• α: 97.652 ± 0.003°
• β: 101.911 ± 0.002°
• γ: 95.374 ± 0.003°
• Cell volume: 1291 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No