Information card for entry 2003164

Structure parameters

• Formula: Br2 Cl2 Cr Cs H18 N6 O8
• Calculated formula: Br2 Cl2 Cr Cs H18 N6 O8
• SMILES: [Br-].[Cs+].Cl(=O)(=O)(=O)[O-].[Cr]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].[Br-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Phase Transitions and Structures at 10, 92 and 293 K in Eight Trigonal Double Salts <i>M</i>^I^[<i>M</i>^III^(NH~3~)~6~](ClO~4~)~2~<i>X</i>~2~
• Authors of publication: Figgis, B. N.; Sobolev, A. N.; Reynolds, P. A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 613 - 625
• a: 7.369 ± 0.001 Å
• b: 7.369 ± 0.001 Å
• c: 27.578 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1296.9 ± 0.3 ų
• Cell temperature: 10 ± 2 K
• Ambient diffraction temperature: 10 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0098
• Residual factor for significantly intense reflections: 0.0098
• Weighted residual factors for all reflections included in the refinement: 0.024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No