Information card for entry 7027119

Structure parameters

• Formula: C16 H40 Br0.54 Cl1.46 Cu2 N8 P4 S4
• Calculated formula: C16 H40 Br0.544 Cl1.456 Cu2 N8 P4 S4
• 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: 11.649 ± 0.001 Å
• b: 15.064 ± 0.001 Å
• c: 9.682 ± 0.001 Å
• α: 90°
• β: 94.11 ± 0.01°
• γ: 90°
• Cell volume: 1694.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.079
• Goodness-of-fit parameter for all reflections: 1.308
• Goodness-of-fit parameter for significantly intense reflections: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No