Information card for entry 4341109

Structure parameters

• Formula: C84 H68 Ag2 Cu2 N4 P4
• Calculated formula: C84 H68 Ag2 Cu2 N4 P4
• SMILES: [Ag]12[Cu](n3c([P]1(c1ccccc1)c1ccccc1)c(c1ccccc31)C)n1c(c(c3ccccc13)C)[P](c1ccccc1)(c1ccccc1)[Ag]1[Cu](n3c([P]1(c1ccccc1)c1ccccc1)c(c1ccccc13)C)n1c([P]2(c2ccccc2)c2ccccc2)c(c2ccccc12)C
• Title of publication: Shedding light on the photochemistry of coinage-metal phosphorescent materials: a time-resolved laue diffraction study of an ag(i)-cu(i) tetranuclear complex.
• Authors of publication: Jarzembska, Katarzyna N.; Kamiński, Radosław; Fournier, Bertrand; Trzop, Elżbieta; Sokolow, Jesse D.; Henning, Robert; Chen, Yang; Coppens, Philip
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10594 - 10601
• a: 12.6106 ± 0.0002 Å
• b: 14.1988 ± 0.0003 Å
• c: 22.0662 ± 0.0004 Å
• α: 76.3912 ± 0.0003°
• β: 81.5811 ± 0.0003°
• γ: 66.8814 ± 0.0003°
• Cell volume: 3525.3 ± 0.11 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No