Information card for entry 7126757

Structure parameters

• Common name: 1698 Fe(SN-Ph)Br2
• Formula: C17 H15 Br2 Fe N2 P S
• Calculated formula: C17 H15 Br2 Fe N2 P S
• SMILES: [Fe]1(Br)(Br)[S]=P(Nc2[n]1cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Tuning the properties of atomically precise gold nanoclusters for biolabeling and drug delivery.
• Authors of publication: Xu, Man-Man; Jia, Tong-Tong; Li, Bingjie; Ma, Wang; Chen, Xiaoyuan; Zhao, Xueli; Zang, Shuang-Quan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 62
• Pages of publication: 8766 - 8769
• a: 14.9127 ± 0.0005 Å
• b: 8.7466 ± 0.0003 Å
• c: 14.9471 ± 0.0005 Å
• α: 90°
• β: 96.386 ± 0.002°
• γ: 90°
• Cell volume: 1937.53 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No