Information card for entry 1564963

Structure parameters

• Formula: C16 H12 Co N6 O5 S
• Calculated formula: C16 H12 Co N6 O5 S
• Title of publication: Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid
• Authors of publication: Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119410
• a: 10.2173 ± 0.0006 Å
• b: 16.6676 ± 0.0008 Å
• c: 11.2467 ± 0.0006 Å
• α: 90°
• β: 111.514 ± 0.007°
• γ: 90°
• Cell volume: 1781.85 ± 0.19 ų
• Cell temperature: 289 ± 0.8 K
• Ambient diffraction temperature: 289 ± 0.8 K
• Number of distinct elements: 6
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No