Information card for entry 7705263

Structure parameters

• Formula: C44 H32 N8 Zn
• Calculated formula: C44 H32 N8 Zn
• Title of publication: Similarities and differences between Mn(II) and Zn(II) coordination polymers supported by porphyrin-based ligands: synthesis, structures and nonlinear optical properties.
• Authors of publication: Xu, Bo-Wei; Niu, Ru-Jie; Liu, Quan; Yang, Jun-Yi; Zhang, Wen-Hua; Young, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12622 - 12631
• a: 31.6289 ± 0.0018 Å
• b: 9.5751 ± 0.0005 Å
• c: 14.6667 ± 0.0008 Å
• α: 90°
• β: 96.004 ± 0.002°
• γ: 90°
• Cell volume: 4417.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.2655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No