Information card for entry 7037163

Structure parameters

• Formula: C52 H49 Cl4 Mn2 N7 O2
• Calculated formula: C52 H49 Cl4 Mn2 N7 O2
• SMILES: [Mn]123([Cl][Mn](Cl)(Cl)Cl)Oc4c5cc(cc4C=[NH+]c4ccccc4CCc4ccccc4[N]1=Cc1cc(cc(c1O2)C=[NH+]c1ccccc1CCc1ccccc1[N]3=C5)C)C.N#CC.N#CC.N#CC
• 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: 11.2704 ± 0.0015 Å
• b: 11.895 ± 0.002 Å
• c: 20.373 ± 0.004 Å
• α: 106.635 ± 0.01°
• β: 94.676 ± 0.012°
• γ: 103.633 ± 0.013°
• Cell volume: 2510.4 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.6942 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No