Information card for entry 7037167

Structure parameters

• Formula: C50 H45 Cl2 Mn2 N5 O4
• Calculated formula: C48 H42 Cl2 Mn2 N4 O4
• Title of publication: Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands.
• Authors of publication: Yang, Wenxue; Zhao, Ke-Qing; Wang, Bi-Qin; Redshaw, Carl; Elsegood, Mark R. J.; Zhao, Jiang-Lin; Yamato, Takehiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 226 - 236
• a: 13.574 ± 0.0014 Å
• b: 9.1261 ± 0.0011 Å
• c: 22.833 ± 0.003 Å
• α: 90°
• β: 102.45 ± 0.01°
• γ: 90°
• Cell volume: 2762 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No