Information card for entry 4081635

Structure parameters

• Formula: C36 H28 Cu2 F12 N8 P2
• Calculated formula: C36 H28 Cu2 F12 N8 P2
• SMILES: C(=C)CN1C2=[Cu]34[Cu]5([n]6c7c8[n]5cccc8ccc7ccc6N2C=C1)=C1N(c2[n]3c3c5[n]4cccc5ccc3cc2)C=CN1CC=C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands
• Authors of publication: Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5451
• a: 13.4466 ± 0.0006 Å
• b: 14.3348 ± 0.0007 Å
• c: 21.7534 ± 0.0011 Å
• α: 90°
• β: 101.814 ± 0.005°
• γ: 90°
• Cell volume: 4104.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1449
• Residual factor for significantly intense reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.3086
• Weighted residual factors for all reflections included in the refinement: 0.3341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No