Information card for entry 4346580

Structure parameters

• Formula: C42 H36 Mn N8 Na2
• Calculated formula: C42 H36 Mn N8 Na2
• SMILES: c1cc2ccc[n](c2[n]12[Mn]([n]13ccc4ccc[n]([Na]25)c14)(n1ccc2ccc[n]5c12)n1ccc2ccc[n]4c12)[Na]34.c1(ccccc1)C.c1(ccccc1)C
• 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: 14.794 ± 0.002 Å
• b: 11.4549 ± 0.0016 Å
• c: 21.817 ± 0.003 Å
• α: 90°
• β: 98.714 ± 0.007°
• γ: 90°
• Cell volume: 3654.5 ± 0.9 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No