Information card for entry 7238439

Structure parameters

• Formula: C72 H84 Cu9 I3 N18
• Calculated formula: C72 H84 Cu9 I3 N18
• Title of publication: Excimer and exciplex formation in a pair of bright phosphorescent isomers constructed from Cu3(pyrazolate)3 and Cu3I3 coordination luminophores
• Authors of publication: Zhan, Shun-Ze; Li, Mian; Zhou, Xiao-Ping; Li, Dan; Weng Ng, Seik
• Journal of publication: RSC Advances
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 1457
• a: 14.6484 ± 0.0003 Å
• b: 14.7423 ± 0.0005 Å
• c: 21.7997 ± 0.0004 Å
• α: 90.488 ± 0.002°
• β: 100.351 ± 0.002°
• γ: 117.859 ± 0.003°
• Cell volume: 4071.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No