Information card for entry 4083735

Structure parameters

• Common name: Ir-pdt-bpmc-Nd-TTA
• Formula: C52.5 H41 Br Cl7 F9 Ir N8 Nd O8 S3
• Calculated formula: C52.5 H41 Br Cl7 F9 Ir N8 Nd O8 S3
• 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: 12.965 ± 0.003 Å
• b: 13.094 ± 0.003 Å
• c: 20.634 ± 0.004 Å
• α: 105.29 ± 0.03°
• β: 91.69 ± 0.03°
• γ: 91.77 ± 0.03°
• Cell volume: 3374.7 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No