Information card for entry 4346585

Structure parameters

• Formula: C28 H20 Fe K2 N8
• Calculated formula: C28 H20 Fe K2 N8
• SMILES: c1cnc2n([Fe](n3ccc4cccnc34)(n3ccc4cccnc34)n3ccc4cccnc34)ccc2c1.[K+].[K+]
• 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: 17.07 ± 0.006 Å
• b: 17.07 ± 0.006 Å
• c: 15.917 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4017 ± 2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No