Information card for entry 7227120

Structure parameters

• Formula: C59 H63 N3 O14 Zn2
• Calculated formula: C54.36 H53.04 N2 O12.36 Zn2
• Title of publication: The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene
• Authors of publication: Martin, Adam D.; Easun, Timothy L.; Argent, Stephen P.; Lewis, William; Blake, Alexander J.; Schröder, Martin
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 603
• a: 31.654 ± 0.002 Å
• b: 9.7728 ± 0.0007 Å
• c: 37.31 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11541.8 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2249
• Residual factor for significantly intense reflections: 0.146
• Weighted residual factors for significantly intense reflections: 0.3889
• Weighted residual factors for all reflections included in the refinement: 0.4154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No