Information card for entry 4329179

Structure parameters

• Common name: BMOF-1-bpdc-12.6EtOAc
• Formula: C38 H24 N2 O8 Zn2
• Calculated formula: C38 H24 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: 14.071 ± 0.005 Å
• b: 15.265 ± 0.005 Å
• c: 15.351 ± 0.006 Å
• α: 88.337 ± 0.013°
• β: 85.779 ± 0.014°
• γ: 85.205 ± 0.011°
• Cell volume: 3276 ± 2 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No