Information card for entry 7705260

Structure parameters

• Formula: C44 H32 Mn N8
• Calculated formula: C44 H32 Mn N8
• 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: 31.541 ± 0.002 Å
• b: 9.6191 ± 0.0008 Å
• c: 14.6584 ± 0.001 Å
• α: 90°
• β: 95.861 ± 0.002°
• γ: 90°
• Cell volume: 4424.1 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1672
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No