Information card for entry 7061237

Structure parameters

• Formula: C45 H43 Au2 Cl4 N9 P2 Zn
• Calculated formula: C45 H43 Au2 Cl4 N9 P2 Zn
• SMILES: c1([n]2c(ccn1)c1cccc3c4ccnc([n]4[Zn]2([n]13)(Cl)Cl)NCC[P](c1ccccc1)(c1ccccc1)[Au]Cl)NCC[P](c1ccccc1)(c1ccccc1)[Au]Cl.CC#N.CC#N
• 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: 11.5397 ± 0.0003 Å
• b: 14.4235 ± 0.0005 Å
• c: 15.6048 ± 0.0004 Å
• α: 70.951 ± 0.003°
• β: 79.619 ± 0.002°
• γ: 87.626 ± 0.002°
• Cell volume: 2414.47 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No