Information card for entry 4349014

Structure parameters

• Formula: C73 H73 Cu3 N9 O10
• Calculated formula: C73 H73 Cu3 N9 O10
• 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: 8.927 ± 0.0018 Å
• b: 23.859 ± 0.005 Å
• c: 29.072 ± 0.006 Å
• α: 90°
• β: 98.29 ± 0.03°
• γ: 90°
• Cell volume: 6127 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2296
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No