Information card for entry 7114147

Structure parameters

• Common name: [Zn(C6H4O2N)2].2C6H5O2N
• Formula: C24 H18 N4 O8 Zn
• Calculated formula: C24 H18 N4 O8 Zn
• Title of publication: A new supramolecular isomer of [Zn(nicotinate)2]n: a novel 42.84 network that is the result of self-assembly of 4-connected nodesElectronic supplementary information (ESI) available: experimental details, TGA and XRPD of all compounds. See http://www.rsc.org/suppdata/cc/b1/b111280p/
• Authors of publication: Rather, Beth; Moulton, Brian; Bailey Walsh, Rosa D.; Zaworotko, Michael J.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 694
• a: 11.922 ± 0.003 Å
• b: 9.99 ± 0.002 Å
• c: 20.107 ± 0.005 Å
• α: 90°
• β: 93.708 ± 0.004°
• γ: 90°
• Cell volume: 2389.7 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No