Information card for entry 7212054

Structure parameters

• Formula: C80 H72 Co4 N8 O16
• Calculated formula: C80 H72 Co4 N8 O16
• Title of publication: The role of π‒π stacking in stabilizing a,a-trans-cyclohexane-1,4-dicarboxylate in a 2D Co(ii) network
• Authors of publication: Zheng, Yan-Zhen; Speldrich, Manfred; Kögerler, Paul; Chen, Xiao-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1057
• a: 12.584 ± 0.002 Å
• b: 16.704 ± 0.003 Å
• c: 17.665 ± 0.003 Å
• α: 90.089 ± 0.003°
• β: 105.29 ± 0.003°
• γ: 106.881 ± 0.003°
• Cell volume: 3415.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No