Information card for entry 7708654

Structure parameters

• Formula: C85 H77 Au4 Cl N4 O7 P4 S3
• Calculated formula: C85 H77 Au4 Cl N4 O7 P4 S3
• SMILES: [Au](Sc1c(cccc1)C(=O)O)[P](c1ccccc1)(c1ccccc1)CN(c1cccnc1)C[P](c1ccccc1)(c1ccccc1)[Au]Cl.[Au](Sc1c(cccc1)C(=O)O)[P](CN(C[P]([Au]Sc1c(cccc1)C(=O)O)(c1ccccc1)c1ccccc1)c1cccnc1)(c1ccccc1)c1ccccc1.C(C)O
• Title of publication: A Photoluminescent Thermometer made from a Thermoresponsive Tetranuclear Gold Complex and Phosphor N630
• Authors of publication: Xu, Wen Di; Yan, Jia Jun; Feng, Meng Yao; Li, Hai-Yan; Young, David James; Ren, Zhi-Gang
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 11.2814 ± 0.0009 Å
• b: 16.5641 ± 0.0014 Å
• c: 23.6076 ± 0.0019 Å
• α: 81.379 ± 0.003°
• β: 89.68 ± 0.004°
• γ: 73.274 ± 0.003°
• Cell volume: 4173.8 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No