Information card for entry 4343475

Structure parameters

• Formula: C216 H336 F24 Fe2 N14 O42 P4 S30
• Calculated formula: C156.006 H156.108 F24.0012 Fe2 N14 O12 P4.0002
• Title of publication: Post-Assembly Covalent Di- and Tetracapping of a Dinuclear [Fe2L3](4+) Triple Helicate and Two [Fe4L6](8+) Tetrahedra Using Sequential Reductive Aminations.
• Authors of publication: Glasson, Christopher R. K.; Meehan, George V.; Davies, Murray; Motti, Cherie A.; Clegg, Jack K.; Lindoy, Leonard F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6986 - 6992
• a: 17.7579 ± 0.0017 Å
• b: 17.7579 ± 0.0017 Å
• c: 157.59 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 43037 ± 7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.3321
• Weighted residual factors for all reflections included in the refinement: 0.3567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No