Information card for entry 4348279

Structure parameters

• Formula: C26 H20 N3 P
• Calculated formula: C26 H20 N3 P
• SMILES: P(c1n(nnc1c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.2112 ± 0.0014 Å
• b: 11.1621 ± 0.0009 Å
• c: 14.5906 ± 0.0014 Å
• α: 90°
• β: 108.833 ± 0.011°
• γ: 90°
• Cell volume: 2036.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No