Information card for entry 7207140

Structure parameters

• Formula: C33 H35 N3 O10.5 Zn2
• Calculated formula: C24 H12 O7.5 Zn2
• Title of publication: The synthesis, structures and reactions of zinc and cobalt metal‒organic frameworks incorporating an alkyne-based dicarboxylate linker
• Authors of publication: Burrows, Andrew D.; Fisher, Laura C.; Hodgson, David; Mahon, Mary F.; Cessford, Naomi F.; Düren, Tina; Richardson, Christopher; Rigby, Sean P.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 188
• a: 19.807 ± 0.0003 Å
• b: 27.714 ± 0.0005 Å
• c: 27.847 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15286.1 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n m n
• Hall space group symbol: -P 2n 2n
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No