Information card for entry 4349016

Structure parameters

• Formula: C45 H44 Co N7 O6
• Calculated formula: C45 H44 Co N7 O6
• SMILES: [Co]1234(Oc5c(C=[N]2c2c6[n]1cccc6ccc2)cc1CCCN2CCCc5c12)Oc1c(C=[N]4c2cccc4ccc[n]3c24)cc2CCCN3CCCc1c23.O=N(=O)[O-].OC
• Title of publication: 3d transition metal complexes with a julolidine‒quinoline based ligand: structures, spectroscopy and optical properties
• Authors of publication: Fanna, Daniel J.; Zhang, Yingjie; Li, Li; Karatchevtseva, Inna; Shepherd, Nicholas D.; Azim, Abdul; Price, Jason R.; Aldrich-Wright, Janice; Reynolds, Jason K.; Li, Feng
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 286
• a: 21.9 ± 0.004 Å
• b: 18.01 ± 0.004 Å
• c: 23.63 ± 0.005 Å
• α: 90°
• β: 101.89 ± 0.03°
• γ: 90°
• Cell volume: 9120 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2523
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No