Information card for entry 7114148

Structure parameters

• Common name: [Zn(C6H4O2N)2].CH4O.2H2O
• Formula: C13 H16 N2 O7 Zn
• Calculated formula: C13 H8.5 N2 O7 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: 21.351 ± 0.003 Å
• b: 21.351 ± 0.003 Å
• c: 6.9183 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3153.8 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No