Information card for entry 4317017

Structure parameters

• Formula: C3 H5 Cl3 Mn N2
• Calculated formula: C3 H5 Cl3 Mn N2
• Title of publication: Coordination Chemistry in the Solid State: Reactivity of Manganese and Cadmium Chlorides with Imidazole and Pyrazole and Their Hydrochlorides
• Authors of publication: Christopher J. Adams; Mukhtar A. Kurawa; A. Guy Orpen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10475 - 10485
• a: 22.561 ± 0.005 Å
• b: 3.7413 ± 0.0007 Å
• c: 20.895 ± 0.004 Å
• α: 90°
• β: 121.54 ± 0.03°
• γ: 90°
• Cell volume: 1503.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No