Information card for entry 7227259

Structure parameters

• Formula: C14 H14 Cl4 N8 O4 Re
• Calculated formula: C14 H14 Cl4 N8 O4 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(Cl)OC(=O)C(=O)O1.n1cc[nH]c1c1[nH]cc[nH+]1.n1cc[nH]c1c1[nH]cc[nH+]1
• 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: 9.8643 ± 0.0002 Å
• b: 9.9913 ± 0.0002 Å
• c: 12.1357 ± 0.0002 Å
• α: 93.364 ± 0.0007°
• β: 92.3297 ± 0.0007°
• γ: 119.535 ± 0.0006°
• Cell volume: 1035.51 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0168
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No