Information card for entry 1547959

Structure parameters

• Formula: C6 H9 Cl4 N3 Re
• Calculated formula: C6 H9 Cl4 N3 Re
• Title of publication: Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers
• Authors of publication: Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 7
• Pages of publication: 13870
• a: 10.2971 ± 0.0005 Å
• b: 13.4016 ± 0.0009 Å
• c: 9.6238 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1328.06 ± 0.18 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Ambient diffracton pressure: 300000 kPa
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections included in the refinement: 0.0222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9141
• Diffraction radiation wavelength: 0.4859 Å
• Diffraction radiation type: Synchrotron-DiamondLightSourceBeamlineI19
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No