Information card for entry 4075488

Structure parameters

• Formula: C40 H30 F10 N2 Zn
• Calculated formula: C40 H30 F10 N2 Zn
• SMILES: C(c1ccccc1)[NH](Cc1ccccc1)[Zn](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[NH](Cc1ccccc1)Cc1ccccc1
• Title of publication: The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc
• Authors of publication: Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3837
• a: 11.14 ± 0.0003 Å
• b: 11.6904 ± 0.0003 Å
• c: 15.1739 ± 0.0004 Å
• α: 78.78 ± 0.002°
• β: 80.701 ± 0.002°
• γ: 62.503 ± 0.001°
• Cell volume: 1713.52 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0782
• 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: No
• Has Fobs: No