Information card for entry 7119779

Structure parameters

• Chemical name: SIFSIX-15-Cu-i
• Formula: C40 H24 Cu F6 N4 Si
• Calculated formula: C40 H24 Cu F6 N4 Si
• Title of publication: The role of weak interactions in controlling the mode of interpenetration in hybrid ultramicroporous materials.
• Authors of publication: Bajpai, Alankriti; Lusi, Matteo; Zaworotko, Michael J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 3978
• a: 29.9341 ± 0.0013 Å
• b: 28.039 ± 0.0013 Å
• c: 7.9233 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6650.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2759
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No