Information card for entry 1504025

Structure parameters

• Formula: C31 H26 Cl10 N3 P Pd
• Calculated formula: C31 H26 Cl10 N3 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P]2(C(=C3CCCC3=C2c2[n]1nn(c2)c1ccccc1)c1ccccc1)c1ccccc1.ClC(Cl)C(Cl)Cl.ClC(Cl)C(Cl)Cl
• Title of publication: Phosphole-triazole hybrids: a facile synthesis and complexation with Pd(II) and Pt(II) salts.
• Authors of publication: Matano, Yoshihiro; Nakashima, Makoto; Saito, Arihiro; Imahori, Hiroshi
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3338 - 3341
• a: 8.1743 ± 0.0011 Å
• b: 13.1609 ± 0.0019 Å
• c: 17.591 ± 0.003 Å
• α: 80.241 ± 0.004°
• β: 76.545 ± 0.004°
• γ: 84.462 ± 0.005°
• Cell volume: 1810.7 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No