Information card for entry 2005280

Structure parameters

• Chemical name: Isothiocyanatotris(triphenylphosphine)silver(I) chloroform solvate
• Formula: C56 H46 Ag Cl3 N P3 S
• Calculated formula: C56 H46 Ag Cl3 N P3 S
• SMILES: [Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)N=C=S.C(Cl)(Cl)Cl
• Title of publication: (Thiocyanato-<i>N</i>)tris(triphenylphosphine)silver(I) Chloroform Solvate
• Authors of publication: Othman, A. H.; Fun, H.-K.; Sivakumar, K.; Farina, Y.; Baba, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1933 - 1935
• a: 13.329 ± 0.002 Å
• b: 13.647 ± 0.001 Å
• c: 14.467 ± 0.001 Å
• α: 89.7 ± 0.01°
• β: 79.47 ± 0.01°
• γ: 80.09 ± 0.01°
• Cell volume: 2547.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0672
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections: 0.1641
• Weighted residual factors for significantly intense reflections: 0.1541
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No