Information card for entry 7702131

Structure parameters

• Formula: C60 H68 Fe N8
• Calculated formula: C60 H68 Fe N8
• Title of publication: Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis.
• Authors of publication: Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 5955 - 5964
• a: 11.2073 ± 0.0014 Å
• b: 13.8988 ± 0.0019 Å
• c: 20.84 ± 0.003 Å
• α: 96.111 ± 0.003°
• β: 96.654 ± 0.003°
• γ: 100.812 ± 0.003°
• Cell volume: 3139.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No