Information card for entry 4349015

Structure parameters

• Formula: C49 H50 N6 O7 Zn2
• Calculated formula: C49 H50 N6 O7 Zn2
• SMILES: [Zn]123(Oc4c(C=[N]2c2cccc5ccc[n]1c25)cc1CCCN2CCCc4c12)[O](C(=O)C)[Zn]12([O]=C(O3)C)Oc3c(C=[N]2c2cccc4ccc[n]1c24)cc1CCCN2CCCc3c12.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: 12.804 ± 0.003 Å
• b: 17.462 ± 0.003 Å
• c: 19.515 ± 0.004 Å
• α: 87.2 ± 0.03°
• β: 88.48 ± 0.03°
• γ: 89.9 ± 0.03°
• Cell volume: 4356.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No