Information card for entry 4348274

Structure parameters

• Chemical name: {μ-(1-[2-diphenylphosphanyl)phenyl]-4-phenyl-1H-1,2,3-triazole- 1κ^2^<i>P,N</i>; 2κ<i>N</i>}{μ-(1-[2-diphenylphosphanyl)phenyl]- 4-phenyl-1H-1,2,3-triazole-1κ<i>N</i>; 2κ^2^<i>P,N</i>}(aqua- 1κ<i>O</i>)(acetonitrile-2κ<i>N</i>)dicopper(I) tetrafluoroborate dichloromethane solvate
• Formula: C55 H47 B2 Cl2 Cu2 F8 N7 O P2
• Calculated formula: C55 H47 B2 Cl2 Cu2 F8 N7 O P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3n3[n]1[n]([Cu]1([P](c4ccccc4)(c4ccccc4)c4ccccc4n4[n]1[n]2c(c4)c1ccccc1)[N]#CC)c(c3)c1ccccc1)[OH2].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.
• Authors of publication: Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8514 - 8526
• a: 10.2654 ± 0.0007 Å
• b: 12.6027 ± 0.0009 Å
• c: 22.9535 ± 0.0016 Å
• α: 100.688 ± 0.001°
• β: 92.727 ± 0.0011°
• γ: 107.202 ± 0.001°
• Cell volume: 2770.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No