Information card for entry 7116609

Structure parameters

• Formula: C42 H36 N6 O7 Zn4
• Calculated formula: C42 H36 N6 O7 Zn4
• SMILES: C1(c2ccccc2)N[Zn]23[O]45[Zn]6(NC(c7ccccc7)=[O][Zn]4([O]=C(c4ccccc4)N2)[O]=C(c2ccccc2)N[Zn]5(NC(c2ccccc2)=[O]3)[O]=C(c2ccccc2)N6)[O]=1
• Title of publication: A mechanochemical strategy for IRMOF assembly based on pre-designed oxo-zinc precursors
• Authors of publication: D. Prochowicz; K. Sokolowski; I. Justyniak; A. Kornowicz; D. Fairen-Jimenez; T. Friscic; J. Lewinski
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4032
• a: 14.5525 ± 0.0003 Å
• b: 14.5525 ± 0.0003 Å
• c: 24.7573 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4540.56 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No