Information card for entry 7709187

Structure parameters

• Formula: C30 H26 Au B F9 N3
• Calculated formula: C30 H26 Au B F9 N3
• SMILES: [Au]12([n]3c(cccc3[B](c3[n]1c(ccc3)C(F)(F)F)(c1nc(ccc1)C(F)(F)F)c1ccc(cc1)C(C)(C)C)C(F)(F)F)[CH2]=[CH2]2
• Title of publication: Fluorinated tris(pyridyl)borate ligand support on coinage metals.
• Authors of publication: Vanga, Mukundam; Muñoz-Castro, Alvaro; Dias, H. V. Rasika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1308 - 1312
• a: 11.6594 ± 0.0004 Å
• b: 10.3878 ± 0.0004 Å
• c: 24.1447 ± 0.0008 Å
• α: 90°
• β: 97.334 ± 0.002°
• γ: 90°
• Cell volume: 2900.37 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No