Information card for entry 7027117

Structure parameters

• Chemical name: diphenyl-1,2-ethane-1,2-bis[(dimethylthiophosphoryl)hydrazide]
• Formula: C8 H20 N4 P2 S2
• Calculated formula: C8 H20 N4 P2 S2
• SMILES: P(C)(C)(N/N=C(/C(=N/NP(=S)(C)C)/C)C)=S
• Title of publication: Dimethylthiophosphoryl hydrazone ligands and their copper complexes: crystal structures and analysis of their solution complexation behaviour by electrospray mass spectrometry
• Authors of publication: Batsanov, Andrei S.; Churakov, Andrei V.; Easson, Morag A. M.; Govenlock, Linda J.; Howard, Judith A. K.; Moloney, Janet M.; Parker, David
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 323
• a: 6.22 ± 0.0001 Å
• b: 12.1463 ± 0.0002 Å
• c: 10.1414 ± 0.0001 Å
• α: 90°
• β: 97.937 ± 0.001°
• γ: 90°
• Cell volume: 758.843 ± 0.019 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for all reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.0661
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No