Information card for entry 4083732

Structure parameters

• Common name: Ir-pdt-bpmc
• Formula: C26.75 H29 Br Ir N8 O3.75
• Calculated formula: C26.75 H22 Br Ir N8 O3.75
• Title of publication: Sensitized Near-Infrared Emission from IrIII-LnIII(Ln = Nd, Yb, Er) Bimetallic Complexes with a (N∧O)(N∧O) Bridging Ligand
• Authors of publication: Chen, Fang-Fang; Wei, Hui-Bo; Bian, Zu-Qiang; Liu, Zhi-Wei; Ma, En; Chen, Zhong-Ning; Huang, Chun-Hui
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140625135042003
• a: 12.201 ± 0.002 Å
• b: 17.707 ± 0.004 Å
• c: 13.076 ± 0.003 Å
• α: 90°
• β: 90.59 ± 0.03°
• γ: 90°
• Cell volume: 2824.8 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No