Information card for entry 7232132

Structure parameters

• Formula: Cl3 H9 Mn N2 O2
• Calculated formula: Cl3 H9 Mn N2 O2
• Title of publication: Low dimensional and frustrated antiferromagnetic interactions in transition metal chloride complexes with simple amine ligands
• Authors of publication: Chalmers, James E.; Srivastava, Anant Kumar; Dixey, Richard J. C.; Sivakumaran, Krrishna; Saines, Paul J.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 894
• a: 5.5411 ± 0.0001 Å
• b: 13.9707 ± 0.0003 Å
• c: 9.963 ± 0.0003 Å
• α: 90°
• β: 92.648 ± 0.002°
• γ: 90°
• Cell volume: 770.44 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No