Information card for entry 7037165

Structure parameters

• Formula: C45 H36 Cl2 Mn2 N4 O5
• Calculated formula: C45 H36 Cl2 Mn2 N4 O5
• SMILES: [Mn]123([O]4[Mn]56(Cl)[O]1c1c7cc(cc1C=[N]2c1ccccc1Oc1ccccc1[N]3=Cc1c4c(cc(c1)C)C=[N]6c1ccccc1Oc1ccccc1[N]5=C7)C)Cl.O=C(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: 11.3736 ± 0.0014 Å
• b: 14.4597 ± 0.0018 Å
• c: 26.105 ± 0.003 Å
• α: 90°
• β: 100.577 ± 0.003°
• γ: 90°
• Cell volume: 4220.3 ± 0.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.6931 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No