Information card for entry 7238438

Structure parameters

• Formula: C72 H86 Cu9 I3 N18 O
• Calculated formula: C72 H86 Cu9 I3 N18 O
• 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: 13.6702 ± 0.0002 Å
• b: 17.3216 ± 0.0003 Å
• c: 17.4721 ± 0.0002 Å
• α: 84.649 ± 0.001°
• β: 79.662 ± 0.001°
• γ: 77.636 ± 0.001°
• Cell volume: 3969.18 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0806
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No