Information card for entry 4346581

Structure parameters

• Formula: C36 H36 Fe N8 Na2 O2
• Calculated formula: C36 H36 Fe N8 Na2 O2
• SMILES: c1cc2ccc[n]3c2[n]1[Fe]([n]12ccc4ccc[n]([Na]35[O]3CCCC3)c14)([n]15ccc3c1[n]([Na]12[O]2CCCC2)ccc3)[n]2c3c(ccc[n]31)cc2
• 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: 9.5754 ± 0.0018 Å
• b: 27.961 ± 0.005 Å
• c: 13.64 ± 0.003 Å
• α: 90°
• β: 103.704 ± 0.003°
• γ: 90°
• Cell volume: 3548 ± 1.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No