Information card for entry 4509509

Structure parameters

• Chemical name: 4,4-bipyrazolium octachlorodirhenate(III)
• Formula: C6 H8 Cl8 N4 Re2
• Calculated formula: C6 H8 Cl8 N4 Re2
• SMILES: c1[nH][nH+]cc1c1c[nH][nH+]c1.Cl[Re](Cl)(Cl)(Cl)[Re](Cl)(Cl)(Cl)Cl
• Title of publication: Hydrogen Bonding Patterns and Supramolecular Structure of 4,4′-Bipyrazolium Salts
• Authors of publication: Boldog, Ishtvan; Daran, Jean-Claude; Chernega, Alexander N.; Rusanov, Eduard B.; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2895
• a: 6.4276 ± 0.0007 Å
• b: 15.9365 ± 0.0016 Å
• c: 15.5925 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1597.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No