Information card for entry 2005725

Structure parameters

• Formula: C19 H14 Cl2 Mn2 O6
• Calculated formula: C19 H12 Cl2 Mn2 O6
• Title of publication: Solvate-Dependent Polymorphism: Crystallization of [{Mn(CO)~3~}~2~{μ-(η^5^-C~6~H~6~-η^5^-C~6~H~6~)}] from CH~2~Cl~2~ as a Mono-Solvate in the Rare Tetragonal Space Group <i>P</i>4~2~/<i>mbc</i>
• Authors of publication: Utz, T. L.; Geib, S. J.; Cooper, N. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2992 - 2994
• a: 12.529 ± 0.004 Å
• b: 12.529 ± 0.004 Å
• c: 12.635 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1983.4 ± 1.5 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.155
• Weighted residual factors for significantly intense reflections: 0.1253
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No