Information card for entry 4346582

Structure parameters

• Formula: C40 H32 Fe N8 Na2
• Calculated formula: C40 H32 Fe N8 Na2
• SMILES: c1cc2cccnc2n1[Fe](n1ccc2cccnc12)(n1ccc2c1nccc2)n1ccc2c1nccc2.c1ccccc1.c1ccccc1.[Na+].[Na+]
• Title of publication: Homoleptic transition metal complexes of the 7-azaindolide ligand featuring κ(1)-N1 coordination.
• Authors of publication: Przyojski, Jacob A.; Kiewit, Monica L.; Fillman, Kathlyn L.; Arman, Hadi D.; Tonzetich, Zachary J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9637 - 9645
• a: 11.378 ± 0.003 Å
• b: 12.0734 ± 0.0012 Å
• c: 26.965 ± 0.003 Å
• α: 90°
• β: 101.804 ± 0.011°
• γ: 90°
• Cell volume: 3625.9 ± 1.1 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No