Information card for entry 4329181

Structure parameters

• Common name: DMOF-1-bpdc-6EtOAc
• Formula: C36 H16 N2 O8 Zn2
• Calculated formula: C35.92 H16 N2 O8 Zn2
• Title of publication: Single-Atom Ligand Changes Affect Breathing in an Extended Metal-Organic Framework
• Authors of publication: Phuong V. Dau; Min Kim; Sergio J. Garibay; Frédéric H. L. Münch; Curtis E. Moore; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5671 - 5676
• a: 15.21 ± 0.003 Å
• b: 15.21 ± 0.003 Å
• c: 9.6282 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2227.4 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No