Information card for entry 7223563

Structure parameters

• Formula: C12 H9 Cl3 Mn N2 O
• Calculated formula: C12 H9 Cl3 Mn N2 O
• 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: 6.8043 ± 0.0008 Å
• b: 12.7288 ± 0.0013 Å
• c: 15.384 ± 0.002 Å
• α: 90°
• β: 94.851 ± 0.011°
• γ: 90°
• Cell volume: 1327.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No