Information card for entry 4064157

Structure parameters

• Chemical name: [Tris[mu-[(4-(diphenylphosphino)-1-phenyl-5-propyl-1H-1,2,3-triazole)-N3,P]]]- [di-mu-iododiiodocuprate] (2:1)
• Formula: C71 H70 Cl4 Cu4 I4 N9 P3
• Calculated formula: C71 H70 Cl4 Cu4 I4 N9 P3
• Title of publication: Experimental and Theoretical Study of Novel Luminescent Di-, Tri-, and Tetranuclear Copper Triazole Complexes
• Authors of publication: Zink, Daniel M.; Grab, Tobias; Baumann, Thomas; Nieger, Martin; Barnes, Ericka C.; Klopper, Wim; Bräse, Stefan
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3275
• a: 14.341 ± 0.001 Å
• b: 16.446 ± 0.002 Å
• c: 32.859 ± 0.004 Å
• α: 90°
• β: 93.29 ± 0.01°
• γ: 90°
• Cell volume: 7737.1 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.1092
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No