Information card for entry 7028738

Structure parameters

• Formula: C21 H17 Au Cl N2 P
• Calculated formula: C21 H17 Au Cl N2 P
• SMILES: [Au](Cl)[P](c1ccccc1c1n[nH]cc1)(c1ccccc1)c1ccccc1
• Title of publication: Gold(i) complexes with heteroaryl phosphine ligands.
• Authors of publication: Sarcher, Christian; Farsadpour, Saeid; Taghizadeh Ghoochany, Leila; Sun, Yu; Thiel, Werner R.; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2397 - 2405
• a: 11.5763 ± 0.0005 Å
• b: 12.1434 ± 0.0005 Å
• c: 14.4334 ± 0.0006 Å
• α: 90°
• β: 107.456 ± 0.003°
• γ: 90°
• Cell volume: 1935.54 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No