Information card for entry 7223562

Structure parameters

• Formula: C24 H18 Br2 Cl2 Mn N4 O2
• Calculated formula: C24 H18 Br2 Cl2 Mn N4 O2
• SMILES: c1cccc2C(Nc3ccc(cc3)Br)=[O][Mn]3([n]12)([n]1ccccc1C(Nc1ccc(cc1)Br)=[O]3)(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: 20.474 ± 0.009 Å
• b: 13.357 ± 0.005 Å
• c: 9.346 ± 0.004 Å
• α: 90°
• β: 91.06 ± 0.04°
• γ: 90°
• Cell volume: 2555.4 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0941
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No