Information card for entry 7215964

Structure parameters

• Formula: C41 H45 N11 O13 Zn2
• Calculated formula: C41 H45 N11 O13 Zn2
• Title of publication: Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers
• Authors of publication: Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4805
• a: 11.0697 ± 0.0006 Å
• b: 22.2083 ± 0.0011 Å
• c: 19.5333 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4802.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No