Information card for entry 2010118

Structure parameters

• Chemical name: Di-μ-fluoro-bis[bis(N,N-dimethylformamide)trifluorozirconium(IV)]
• Formula: C12 H28 F8 N4 O4 Zr2
• Calculated formula: C12 H28 F8 N4 O4 Zr2
• SMILES: C(N(C)C)=[O][Zr]1(F)(F)(F)([F][Zr](F)(F)(F)([F]1)([O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C
• Title of publication: Di-μ-fluoro-bis[bis(<i>N</i>,<i>N</i>-dimethylformamide)trifluorozirconium(IV)]
• Authors of publication: Errington, William; Ismail, Matthew A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 1540 - 1541
• a: 8.369 ± 0.008 Å
• b: 8.899 ± 0.007 Å
• c: 9.501 ± 0.012 Å
• α: 96.4 ± 0.08°
• β: 114.53 ± 0.09°
• γ: 115.5 ± 0.06°
• Cell volume: 543.5 ± 1.3 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.1115
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No