Information card for entry 2206194

Structure parameters

• Chemical name: Bis[4,4'-dimethyl-2,2'-bipyridinium(+)] tetraoxorhenium triiodide
• Formula: C24 H26 I3 N4 O4 Re
• Calculated formula: C24 H26 I3 N4 O4 Re
• SMILES: c1c(c2cc(ccn2)C)[nH+]ccc1C.I[I-]I.n1c(c2[nH+]ccc(c2)C)cc(cc1)C.O=[Re](=O)(=O)[O-]
• Title of publication: Bis[4,4'-dimethyl-2,2'-bipyridinium(+)] tetraoxorhenate(VII) triiodide
• Authors of publication: Andrzej Kochel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1368 - m1369
• a: 9.667 ± 0.002 Å
• b: 12.096 ± 0.002 Å
• c: 14.185 ± 0.003 Å
• α: 66.41 ± 0.03°
• β: 85.1 ± 0.03°
• γ: 74.07 ± 0.03°
• Cell volume: 1461.1 ± 0.6 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: 0.0335
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes