Information card for entry 7037166

Structure parameters

• Formula: C50 H42 Cl2 Mn2 N8 O4
• Calculated formula: C50 H42 Cl2 Mn2 N8 O4
• SMILES: [Mn]123(Cl)[O]4[Mn]56(Cl)[O]3c3c7cc(cc3C=[N]5c3ccccc3Oc3ccccc3[N]6=Cc3c4c(cc(c3)C)C=[N]1c1ccccc1Oc1ccccc1[N]2=C7)C.N#CC.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: 9.0678 ± 0.0003 Å
• b: 14.5779 ± 0.0006 Å
• c: 18.8111 ± 0.0007 Å
• α: 72.522 ± 0.003°
• β: 83.68 ± 0.003°
• γ: 87.859 ± 0.003°
• Cell volume: 2357.39 ± 0.16 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No