Information card for entry 7227258

Structure parameters

• Formula: C12 H10 Cl4 N2 O4 Re
• Calculated formula: C12 H10 Cl4 N2 O4 Re
• SMILES: c1cc(c2cc[nH+]cc2)cc[nH+]1.Cl[Re]1(OC(=O)C(=O)O1)(Cl)(Cl)Cl
• Title of publication: Self-assembly of the tetrachlorido(oxalato)rhenate(iv) anion with protonated organic cations: X-ray structures and magnetic properties
• Authors of publication: Pedersen, Anders H.; Julve, Miguel; Brechin, Euan K.; Martínez-Lillo, José
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 503
• a: 9.307 ± 0.0003 Å
• b: 17.6267 ± 0.0004 Å
• c: 10.8072 ± 0.0003 Å
• α: 90°
• β: 113.592 ± 0.004°
• γ: 90°
• Cell volume: 1624.75 ± 0.09 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No