Information card for entry 7000653

Structure parameters

• Formula: C46 H35 B Cl2 Cu F4 N6 P
• Calculated formula: C45 H33 B Cu F4 N6 P
• Title of publication: Cu(i) and Ag(i) complexes of 7-azaindolyl and 2,2′-dipyridylamino substituted 1,3,5-triazine and benzene: the central core impact on structure, solution dynamics and fluorescence of the complexes
• Authors of publication: Wong, Elizabeth; Li, John; Seward, Corey; Wang, Suning
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1776 - 1785
• a: 12.115 ± 0.004 Å
• b: 14.578 ± 0.004 Å
• c: 23.231 ± 0.007 Å
• α: 90°
• β: 92.189 ± 0.005°
• γ: 90°
• Cell volume: 4100 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No