Information card for entry 7047017

Structure parameters

• Formula: C48 H72 Fe2 N8 Si4
• Calculated formula: C48 H72 Fe2 N8 Si4
• Title of publication: Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.
• Authors of publication: Liang, Qiuming; Liu, Nina Jiabao; Song, Datong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9889 - 9896
• a: 14.4692 ± 0.0011 Å
• b: 28.2574 ± 0.0019 Å
• c: 17.2321 ± 0.0013 Å
• α: 90°
• β: 113.491 ± 0.003°
• γ: 90°
• Cell volume: 6461.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No