Information card for entry 7116797

Structure parameters

• Chemical name: Cu-BTT
• Formula: C35 H41 Cu5 N40 O0
• Calculated formula: C35 H41 Cu5 N40
• Title of publication: Gas storage and separation in a water-stable [Cu^I^5BTT3]^4-^ anion framework comprising a giant multi-prismatic nanoscale cage
• Authors of publication: B. X. Dong; S. Y. Zhang; W. L. Liu; Y. C. Wu; J. Ge; L. Song; Y. L. Teng
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5691
• a: 16.18 ± 0.002 Å
• b: 43.077 ± 0.005 Å
• c: 45.485 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31702 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1474
• 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: No
• Has Fobs: No