Information card for entry 7017922

Structure parameters

• Chemical name: (E)-2-[2-(diphenylphosphino)benzylidene]hydrazinethiosemicarbazine
• Formula: C20 H18 N3 P S
• Calculated formula: C20 H18 N3 P S
• SMILES: S=C(N/N=C/c1c(P(c2ccccc2)c2ccccc2)cccc1)N
• Title of publication: Aurophilicity in gold(I) thiosemicarbazone clusters.
• Authors of publication: Castiñeiras, Alfonso; Pedrido, Rosa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1363 - 1372
• a: 8.6649 ± 0.0006 Å
• b: 13.2989 ± 0.001 Å
• c: 16.2517 ± 0.0011 Å
• α: 84.183 ± 0.004°
• β: 88.693 ± 0.004°
• γ: 89.976 ± 0.004°
• Cell volume: 1862.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No