Information card for entry 7037169

Structure parameters

• Formula: C27 H30 Cl3 Mn N3 O
• Calculated formula: C27 H30 Cl3 Mn N3 O
• SMILES: [Mn](Cl)(Cl)(Cl)[N]#CC.[O-]c1c(cc(cc1/C=[NH+]/c1c(cc(cc1)C)C)C)/C=[NH+]/c1c(cc(cc1)C)C
• 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: 8.6706 ± 0.0004 Å
• b: 23.5547 ± 0.001 Å
• c: 27.6317 ± 0.0012 Å
• α: 90°
• β: 97.6782 ± 0.0007°
• γ: 90°
• Cell volume: 5592.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No