Information card for entry 4071309

Structure parameters

• Formula: C37 H43 Au Cl N2 P S
• Calculated formula: C37 H43 Au Cl N2 P S
• SMILES: [Au](Cl)[P]1(C2=C3CCCC3=C1C(c1[nH]c(C(c3sc(C(c4[nH]c(C2(C)C)cc4)(C)C)cc3)(C)C)cc1)(C)C)c1ccccc1
• Title of publication: Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles
• Authors of publication: Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3142
• a: 12.0427 ± 0.0017 Å
• b: 14.638 ± 0.002 Å
• c: 19.781 ± 0.003 Å
• α: 90°
• β: 103.936 ± 0.001°
• γ: 90°
• Cell volume: 3384.4 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0308
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No