Information card for entry 2021196

Structure parameters

• Chemical name: <i>fac</i>-Tricarbonylchlorido[1-(4-nitrocinnamoyl)-3-(pyridin-2-yl-κ<i>N</i>)pyrazole-κ<i>N</i>^2^]rhenium(I) acetone monosolvate
• Formula: C23 H18 Cl N4 O7 Re
• Calculated formula: C23 H18 Cl N4 O7 Re
• Title of publication: Supramolecular structures of rhenium(I) complexes mediated by ligand planarity <i>via</i> the interplay of substituents
• Authors of publication: Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• a: 7.9828 ± 0.0003 Å
• b: 12.0719 ± 0.0004 Å
• c: 14.456 ± 0.0005 Å
• α: 104.093 ± 0.002°
• β: 99.708 ± 0.002°
• γ: 104.184 ± 0.002°
• Cell volume: 1270.78 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1024
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes