Information card for entry 7004957

Structure parameters

• Formula: C40 H30 Cu F12 N10 P2
• Calculated formula: C40 H30 Cu F12 N10 P2
• Title of publication: Non-covalent polymerisation in the solid state: halogen-halogen vs. methyl-methyl interactions in the complexes of 2,4-di(2-pyridyl)-1,3,5-triazine ligands.
• Authors of publication: Medlycott, Elaine A.; Udachin, Konstantin A.; Hanan, Garry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 430 - 438
• a: 22.598 ± 0.004 Å
• b: 22.598 ± 0.004 Å
• c: 17.155 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8761 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No