Information card for entry 2016301

Structure parameters

• Chemical name: Dibromidotetrakis(1H-pyrazole-κN^3^)manganese(II)
• Formula: C12 H16 Br2 Mn N8
• Calculated formula: C12 H16 Br2 Mn N8
• SMILES: c1cc[n]([nH]1)[Mn](Br)([n]1ccc[nH]1)([n]1ccc[nH]1)(Br)[n]1ccc[nH]1
• Title of publication: Setting ambiguity in <i>C</i>2/<i>c</i> with dibromidotetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II) as an example
• Authors of publication: Ruth, Kai; Kunz, Kerstin; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m566 - m569
• a: 14.43 ± 0.002 Å
• b: 9.4424 ± 0.0008 Å
• c: 14.725 ± 0.002 Å
• α: 90°
• β: 118.864 ± 0.011°
• γ: 90°
• Cell volume: 1757.1 ± 0.4 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: 0.0933
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes