Information card for entry 7207141

Structure parameters

• Formula: C33.9 H35.1 Co1.5 N3.3 O9.3
• Calculated formula: C33.9 H35.1 Co1.5 N3.3 O9.3
• 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: 15.331 ± 0.0002 Å
• b: 17.957 ± 0.0003 Å
• c: 16.533 ± 0.0003 Å
• α: 90°
• β: 117.704 ± 0.001°
• γ: 90°
• Cell volume: 4029.73 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1507
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No