Information card for entry 4130163

Structure parameters

• Formula: C73 H60 Dy Ga4 N7 O22
• Calculated formula: C73 H60 Dy Ga4 N7 O22
• Title of publication: Ga(3+)/Ln(3+) Metallacrowns: A Promising Family of Highly Luminescent Lanthanide Complexes That Covers Visible and Near-Infrared Domains.
• Authors of publication: Chow, Chun Y.; Eliseeva, Svetlana V.; Trivedi, Evan R.; Nguyen, Tu N.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 15
• Pages of publication: 5100 - 5109
• a: 17.1202 ± 0.0003 Å
• b: 17.1515 ± 0.0003 Å
• c: 28.505 ± 0.002 Å
• α: 90°
• β: 122.17 ± 0.005°
• γ: 90°
• Cell volume: 7085.1 ± 0.7 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No