Information card for entry 7223564

Structure parameters

• Formula: C24 H18 Cl2 F2 Mn N4 O2
• Calculated formula: C24 H18 Cl2 F2 Mn N4 O2
• SMILES: c1cccc2[n]1[Mn]1([n]3ccccc3C(Nc3ccc(F)cc3)=[O]1)([O]=C2Nc1ccc(F)cc1)(Cl)Cl
• Title of publication: The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds
• Authors of publication: Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.476 ± 0.004 Å
• b: 19.011 ± 0.004 Å
• c: 9.349 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2395.1 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No