Information card for entry 2019815

Structure parameters

• Chemical name: Bis(thiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I) nitrate
• Formula: C38 H38 Ag N5 O3 P2 S2
• Calculated formula: C38 H38 Ag N5 O3 P2 S2
• SMILES: [Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]=C(N)N)[S]=C(N)N.N(=O)(=O)[O-]
• Title of publication: Crystal structure of bis(thiourea-κS)bis(triphenylphosphane-κP)silver(I) nitrate
• Authors of publication: Nawaz, Sidra; Tahir, Muhammad Nawaz; Nadeem, Muhammad Amir; Mehmood, Bushra; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 220
• a: 15.0519 ± 0.0006 Å
• b: 15.1758 ± 0.0005 Å
• c: 17.9186 ± 0.0008 Å
• α: 90°
• β: 107.886 ± 0.002°
• γ: 90°
• Cell volume: 3895.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1395
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes