Information card for entry 7223561

Structure parameters

• Formula: C24 H18 Cl2 I2 Mn N4 O2
• Calculated formula: C24 H18 Cl2 I2 Mn N4 O2
• SMILES: c1cccc2C(Nc3ccc(I)cc3)=[O][Mn]3([n]12)(Cl)([n]1ccccc1C(Nc1ccc(I)cc1)=[O]3)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: 13.339 ± 0.0012 Å
• b: 9.4207 ± 0.0007 Å
• c: 20.8663 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2622.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No