Information card for entry 7214547

Structure parameters

• Common name: BMOF-1-bpdc-NO2
• Formula: C38 H8 N6 O8 Zn2
• Calculated formula: C37.92 H8 N6 O8 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: 21.3799 ± 0.0018 Å
• b: 21.4597 ± 0.0018 Å
• c: 27.944 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12820.9 ± 1.8 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No