Information card for entry 7059564

Structure parameters

• Formula: C82 H65 Ag Al B3 Cl2 F46 N3 O3 P3
• Calculated formula: C81 H63 Ag Al B3 F46 N3 O3 P3
• SMILES: [Al](F)(OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)c1c(F)c(F)c(F)c(F)c1F)(OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)c1c(F)c(F)c(F)c(F)c1F)OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)c1c(F)c(F)c(F)c(F)c1F.[Ag]([P](c1ccccc1)(c1ccccc1)[BH2][N](C)(C)C)([P](c1ccccc1)(c1ccccc1)[BH2][N](C)(C)C)[P](c1ccccc1)(c1ccccc1)[BH2][N](C)(C)C
• Title of publication: A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3
• Authors of publication: Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 14916 - 14919
• a: 11.41518 ± 0.00014 Å
• b: 19.8618 ± 0.0003 Å
• c: 42.3218 ± 0.0005 Å
• α: 90°
• β: 90.4893 ± 0.0011°
• γ: 90°
• Cell volume: 9595.1 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No