Information card for entry 7214546

Structure parameters

• Common name: BMOF-1-bpdc-[NO2]2
• Formula: C48 H0 N8 O17 Zn2
• Calculated formula: C48 N8 O17.002 Zn2
• Title of publication: The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs
• Authors of publication: Dau, Phuong V.; Cohen, Seth M.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9304
• a: 28.0614 ± 0.0011 Å
• b: 30.0942 ± 0.0019 Å
• c: 30.0947 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25415 ± 2 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.1671
• Residual factor for significantly intense reflections: 0.1579
• Weighted residual factors for significantly intense reflections: 0.5586
• Weighted residual factors for all reflections included in the refinement: 0.5968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No