Information card for entry 7045109

Structure parameters

• Formula: C88 H74 Ag2 F12 N6 O2 P6
• Calculated formula: C88 H74 Ag2 F12 N6 O2 P6
• SMILES: c1(ccccc1)[P]1(C#C[P](c2ccccc2)([Ag]23([n]4c(c5[n]2c(c2[n]3cccc2)ccc5)cccc4)[P](c2ccccc2)(C#C[P]([Ag]231[n]1c(c4[n]2cccc4)cccc1c1[n]3cccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Self-assembly of heteroleptic dinuclear silver(i) complexes bridged by bis(diphenylphosphino)ethyne.
• Authors of publication: Keller, Sarah; Camenzind, Timothy N.; Abraham, Johannes; Prescimone, Alessandro; Häussinger, Daniel; Constable, Edwin C.; Housecroft, Catherine E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 946 - 957
• a: 12.1355 ± 0.001 Å
• b: 12.5994 ± 0.001 Å
• c: 14.8038 ± 0.0012 Å
• α: 95.415 ± 0.003°
• β: 112.162 ± 0.003°
• γ: 93.696 ± 0.003°
• Cell volume: 2074.6 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for all reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0823
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No