Information card for entry 7036017

Structure parameters

• Formula: C57 H59 B4 F16 Fe2 N27 O
• Calculated formula: C57 H59 B4 F16 Fe2 N27 O
• Title of publication: Systematic study of the synthesis and coordination of 2-(1,2,3-triazol-4-yl)-pyridine to Fe(ii), Ni(ii) and Zn(ii); ion-induced folding into helicates, mesocates and larger architectures, and application to magnetism and self-selection.
• Authors of publication: Wu, Nan; Melan, Caroline F. C.; Stevenson, Kristina A.; Fleischel, Olivier; Guo, Huan; Habib, Fatemah; Holmberg, Rebecca J.; Murugesu, Muralee; Mosey, Nicholas J.; Nierengarten, Hélène; Petitjean, Anne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14991 - 15005
• a: 13.8603 ± 0.0005 Å
• b: 17.902 ± 0.0007 Å
• c: 17.9413 ± 0.0007 Å
• α: 109.535 ± 0.002°
• β: 101.234 ± 0.003°
• γ: 103.518 ± 0.002°
• Cell volume: 3894 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No