Information card for entry 7061238

Structure parameters

• Formula: C23 H21 Au Cl N4 P
• Calculated formula: C23 H21 Au Cl N4 P
• SMILES: c1cccc(c2ccnc(n2)NCC[P](c2ccccc2)(c2ccccc2)[Au]Cl)n1
• Title of publication: Synthesis and photophysical properties of multimetallic gold/zinc complexes of (P,N,N,N,P) and (P,N,N) ligands
• Authors of publication: Walg, Simon P.; Dietrich, Fabian; Grün, Anneken; Cayir Kücükdisli, Merve; Sun, Yu; Thiel, Werner R.; Gerhards, Markus
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 4062 - 4071
• a: 10.6195 ± 0.0004 Å
• b: 12.3785 ± 0.0004 Å
• c: 18.7756 ± 0.0005 Å
• α: 108.768 ± 0.003°
• β: 103.715 ± 0.003°
• γ: 92.291 ± 0.003°
• Cell volume: 2252.05 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0364
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No