Information card for entry 1557243

Structure parameters

• Formula: C23.5 H22 Co N2 O8 S
• Calculated formula: C23.5 H21.5 Co N2 O8 S
• Title of publication: A Pair of Co^II Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.
• Authors of publication: Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2020
• Journal volume: 25
• Journal issue: 1
• Pages of publication: 201
• a: 9.2206 ± 0.0008 Å
• b: 11.0642 ± 0.001 Å
• c: 13.345 ± 0.0012 Å
• α: 96.611 ± 0.005°
• β: 109.696 ± 0.005°
• γ: 103.697 ± 0.005°
• Cell volume: 1216.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No