Information card for entry 7231500

Structure parameters

• Formula: C72 H80 Co3 N16 O23 S2
• Calculated formula: C72 H80 Co3 N16 O23 S2
• Title of publication: Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique
• Authors of publication: Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 38
• Pages of publication: 5833
• a: 9.884 ± 0.005 Å
• b: 10.055 ± 0.005 Å
• c: 21.401 ± 0.01 Å
• α: 93.574 ± 0.008°
• β: 91.624 ± 0.008°
• γ: 112.313 ± 0.008°
• Cell volume: 1960.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No