Information card for entry 7063357

Structure parameters

• Formula: C28 H33 Cl Co N10 O4.5
• Calculated formula: C28 H33 Cl Co N10 O4.5
• Title of publication: Two chiral CoIII and NiII complexes with identical ligands presenting different nonlinear optical responses
• Authors of publication: Wang, Taoyu; Peng, Yanhong; Zhang, Zhiqiang; Gao, Congli; Li, Xi-Li
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 32
• Pages of publication: 14292 - 14297
• a: 7.2172 ± 0.0016 Å
• b: 9.066 ± 0.002 Å
• c: 13.516 ± 0.003 Å
• α: 89.015 ± 0.003°
• β: 78.749 ± 0.004°
• γ: 73.93 ± 0.003°
• Cell volume: 832.8 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No