Information card for entry 1557242

Structure parameters

• Formula: C23 H19 Co N2 O7 S
• Calculated formula: C23 H19 Co N2 O7 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: 9.1273 ± 0.0002 Å
• b: 12.0439 ± 0.0002 Å
• c: 12.0526 ± 0.0002 Å
• α: 62.4993 ± 0.0008°
• β: 75.9211 ± 0.001°
• γ: 79.9212 ± 0.0009°
• Cell volume: 1136.88 ± 0.04 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: 0.033
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No