Information card for entry 2205494

Structure parameters

• Chemical name: 2,2'-Bipyrimidinium hexachlororhenate(IV) dihydrate
• Formula: C8 H12 Cl6 N4 O2 Re
• Calculated formula: C8 H12 Cl6 N4 O2 Re
• SMILES: O.c1([nH+]cccn1)c1[nH+]cccn1.[Re](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].O
• Title of publication: 2,2'-Bipyrimidinium hexachlororhenate(IV) dihydrate
• Authors of publication: Andrzej Kochel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m759 - m760
• a: 7.941 ± 0.002 Å
• b: 12.199 ± 0.002 Å
• c: 9.804 ± 0.002 Å
• α: 90°
• β: 118.18 ± 0.03°
• γ: 90°
• Cell volume: 837.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes