Information card for entry 7108325

Structure parameters

• Formula: C41 H27 Cl6 N O14 Zn2
• Calculated formula: C41 H27 Cl6 N O14 Zn2
• Title of publication: Functional group effects on metal-organic framework topology
• Authors of publication: Phuong V. Dau; Kristine K. Tanabe; Seth M. Cohen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9370
• a: 36.061 ± 0.003 Å
• b: 36.061 ± 0.003 Å
• c: 24.163 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27212 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1539
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.2983
• Weighted residual factors for all reflections included in the refinement: 0.3195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No