Information card for entry 7110728

Structure parameters

• Formula: C5 H5 Cl2 Mn0.5 N
• Calculated formula: C5 H5 Cl2 Mn0.5 N
• Title of publication: Cation-controlled formation of [{MCl4}n]2n− chains in [4,4′-H2bipy][MCl4] (M = Mn, Cd): an alternative to the A2MCl4 <100> layer perovskite structure†
• Authors of publication: Gillon, Amy L.; Guy Orpen, A.; Starbuck, Jonathan; Wang, Xi-Meng; Rodríguez-Martín, Yolanda; Ruiz-Pérez, Catalina
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 2287
• a: 15.526 ± 0.002 Å
• b: 12.66 ± 0.003 Å
• c: 6.914 ± 0.002 Å
• α: 90°
• β: 114.896 ± 0.016°
• γ: 90°
• Cell volume: 1232.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0233
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No