Information card for entry 7119780

Structure parameters

• Formula: C41 H24 F6 N4 O Si Zn
• Calculated formula: C41 H24 F6 N4 O Si Zn
• 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: 29.756 ± 0.004 Å
• b: 29 ± 0.004 Å
• c: 7.6262 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6580.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1867
• Residual factor for significantly intense reflections: 0.1558
• Weighted residual factors for significantly intense reflections: 0.3735
• Weighted residual factors for all reflections included in the refinement: 0.3922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No