Information card for entry 7102012

Structure parameters

• Formula: C30 H40 F12 Fe N14 O5 P2
• Calculated formula: C30 H38 F12.018 Fe N14 O5 P2
• Title of publication: Can terdentate 2,6-bis(1,2,3-triazol-4-yl)pyridines form stable coordination compounds?
• Authors of publication: Li, Yongjun; Huffman, John C; Flood, Amar H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 26
• Pages of publication: 2692 - 2694
• a: 11.156 ± 0.003 Å
• b: 26.836 ± 0.006 Å
• c: 14.153 ± 0.003 Å
• α: 90°
• β: 104.726 ± 0.005°
• γ: 90°
• Cell volume: 4097.9 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No