Information card for entry 2008319

Structure parameters

• Chemical name: bis-triphenylphosphane silver 1-phenyltetrazolethiolate
• Formula: C44 H39 Ag N4 O P2 S
• Calculated formula: C44 H39 Ag N4 O P2 S
• SMILES: [Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1n(nnn1)c1ccccc1.OC
• Title of publication: (1-Phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato-<i>S</i>)bis(triphenylphosphine)silver(I) methanol solvate
• Authors of publication: Molloy, Kieran C.; Mahon, Mary F.; Barret, Marie C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 555 - 557
• a: 10.203 ± 0.002 Å
• b: 13.047 ± 0.004 Å
• c: 15.99 ± 0.005 Å
• α: 68.54 ± 0.03°
• β: 85.85 ± 0.02°
• γ: 76.48 ± 0.02°
• Cell volume: 1925.9 ± 1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No