Information card for entry 7004951

Structure parameters

• Formula: C40 H27 Br2 F12 N11 Ni P2
• Calculated formula: C40 H27 Br2 F12 N11 Ni 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: 8.5536 ± 0.0002 Å
• b: 13.685 ± 0.0002 Å
• c: 18.9796 ± 0.0003 Å
• α: 91.086 ± 0.001°
• β: 102.348 ± 0.001°
• γ: 91.973 ± 0.001°
• Cell volume: 2168.21 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No