Information card for entry 7231502

Structure parameters

• Formula: C42 H44 N8 Ni O10 S
• Calculated formula: C42 H44 N8 Ni O10 S
• 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: 8.1354 ± 0.0017 Å
• b: 16.294 ± 0.003 Å
• c: 16.793 ± 0.003 Å
• α: 108.688 ± 0.004°
• β: 90.416 ± 0.004°
• γ: 94.18 ± 0.004°
• Cell volume: 2102 ± 0.7 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: 0.0843
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No