Information card for entry 4332765

Structure parameters

• Formula: C52 H44 Au2 Cl6 Fe N4 O6 P2 S2
• Calculated formula: C52 H44 Au2 Cl6 Fe N4 O6 P2 S2
• SMILES: [Au]([P](c1ccccc1)([c]12[Fe]3456789([c]%10([P]([Au]S/C(=N\c%11ccc(cc%11)N(=O)=O)OC)(c%11ccccc%11)c%11ccccc%11)[cH]4[cH]6[cH]8[cH]3%10)[cH]2[cH]5[cH]7[cH]19)c1ccccc1)SC(=N\c1ccc(cc1)N(=O)=O)/OC.ClC(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Luminescent Phosphine Gold(I) Thiolates: Correlation between Crystal Structure and Photoluminescent Properties in [R3PAu{SC(OMe)NC6H4NO2-4}] (R = Et, Cy, Ph) and [(Ph2P-R-PPh2){AuSC(OMe)NC6H4NO2-4}2] (R = CH2, (CH2)2, (CH2)3, (CH2)4, Fc)
• Authors of publication: Ho, Soo Yei; Cheng, Eddie Chung-Chin; Tiekink, Edward R. T.; Yam, Vivian Wing-Wah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8165 - 8174
• a: 23.1341 ± 0.0011 Å
• b: 12.1157 ± 0.0006 Å
• c: 21.9265 ± 0.001 Å
• α: 90°
• β: 109.478 ± 0.001°
• γ: 90°
• Cell volume: 5794 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No