Information card for entry 7232130

Structure parameters

• Formula: Cl16 H54 Mn3 N20 O2
• Calculated formula: Cl16 H54 Mn3 N20 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: 7.5839 ± 0.0003 Å
• b: 9.1752 ± 0.0004 Å
• c: 15.0656 ± 0.0006 Å
• α: 89.821 ± 0.004°
• β: 84.447 ± 0.003°
• γ: 75.697 ± 0.004°
• Cell volume: 1010.82 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No