Information card for entry 7027116

Structure parameters

• Chemical name: butane-2,3-bis[(dimethylthiophosphoryl)hydrazide]
• Formula: C18 H24 N4 P2 S2
• Calculated formula: C18 H24 N4 P2 S2
• SMILES: P(=S)(N/N=C(\C(=N/NP(=S)(C)C)c1ccccc1)c1ccccc1)(C)C
• 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: 9.588 ± 0.001 Å
• b: 11.402 ± 0.001 Å
• c: 11.62 ± 0.001 Å
• α: 69.43 ± 0.01°
• β: 87.11 ± 0.01°
• γ: 69.74 ± 0.01°
• Cell volume: 1112.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.0846
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No