Information card for entry 2239670

Structure parameters

• Chemical name: Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate
• Formula: C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn
• Calculated formula: C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn
• SMILES: c1cccc[n]1[Cr](F)(F)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.F[Cr](F)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.Cl[Zn](Cl)([Cl-])[Cl-].[Na+].Cl(=O)(=O)(=O)[O-]
• Title of publication: Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate from synchrotron data
• Authors of publication: Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: m280
• a: 25.397 ± 0.005 Å
• b: 14.6 ± 0.003 Å
• c: 25.51 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9459 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.62998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes