Information card for entry 2203782

Structure parameters

• Chemical name: Bis(4,4'-dimethyl-2,2'-bipyridinium) hexachlororhenium(IV) dihydrate
• Formula: C24 H30 Cl6 N4 O2 Re
• Calculated formula: C24 H30 Cl6 N4 O2 Re
• SMILES: O.c1cc(cc(n1)c1cc(cc[nH+]1)C)C.[Re](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].O.c1cc(cc(c2cc(cc[nH+]2)C)n1)C
• Title of publication: Bis(4,4'-dimethyl-2,2'-bipyridinium) hexachlororhenium(IV) dihydrate
• Authors of publication: Andrzej Kochel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m859 - m860
• a: 7.991 ± 0.002 Å
• b: 8.611 ± 0.002 Å
• c: 11.007 ± 0.002 Å
• α: 100.5 ± 0.03°
• β: 98.46 ± 0.03°
• γ: 102.37 ± 0.03°
• Cell volume: 713.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes