Information card for entry 4329180

Structure parameters

• Common name: BMOF-1-dcppy-10.2EtOAc
• Formula: C34 H20 N6 O8 Zn2
• Calculated formula: C33.91 H20 N4 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: 14.02 ± 0.002 Å
• b: 15.082 ± 0.002 Å
• c: 15.121 ± 0.002 Å
• α: 76.892 ± 0.002°
• β: 86.55 ± 0.002°
• γ: 83.446 ± 0.002°
• Cell volume: 3091.7 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.1007
• Weighted residual factors for significantly intense reflections: 0.2654
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No