Information card for entry 4345466

Structure parameters

• Common name: holkg30
• Formula: C52 H72 Fe2 N8 Si2
• Calculated formula: C52 H72 Fe2 N8 Si2
• SMILES: N1([N]#C[Fe]2(N([N]#C[Fe]31N(c1c(cccc1C)C)C(=C(C(C)=[N]3c1c(C)cccc1C)C)C)[Si](C)(C)C)N(c1c(cccc1C)C)C(=C(C(C)=[N]2c1c(cccc1C)C)C)C)[Si](C)(C)C
• Title of publication: Diazoalkanes in Low-Coordinate Iron Chemistry: Bimetallic Diazoalkyl and Alkylidene Complexes of Iron(II).
• Authors of publication: Reesbeck, Megan E.; Grubel, Katarzyna; Kim, Daniel; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1019 - 1022
• a: 11.2308 ± 0.0017 Å
• b: 11.5081 ± 0.0017 Å
• c: 12.0683 ± 0.0018 Å
• α: 71.032 ± 0.003°
• β: 66.46 ± 0.003°
• γ: 64.951 ± 0.003°
• Cell volume: 1272.4 ± 0.3 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No