Information card for entry 7024601

Structure parameters

• Formula: C22 H22 N3 P S
• Calculated formula: C22 H22 N3 P S
• SMILES: S=C(N/N=C/c1c(P(c2ccccc2)c2ccccc2)cccc1)NCC
• Title of publication: A thiosemicarbazone ligand functionalized by a phosphine group: reactivity toward coinage metal ions.
• Authors of publication: Castiñeiras, Alfonso; Pedrido, Rosa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 15
• Pages of publication: 3572 - 3584
• a: 8.5648 ± 0.0005 Å
• b: 13.9717 ± 0.0008 Å
• c: 18.0776 ± 0.001 Å
• α: 73.672 ± 0.004°
• β: 84.289 ± 0.004°
• γ: 78.789 ± 0.003°
• Cell volume: 2034.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No