Information card for entry 4322664

Structure parameters

• Formula: C36 H41 Ag B N6 P
• Calculated formula: C36 H41 Ag B N6 P
• SMILES: [Ag]12([P](c3ccc(cc3)C)(c3ccc(cc3)C)c3ccccc(cc3)C)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C
• Title of publication: Syntheses and Spectroscopic and Structural Characterization of Silver(I) Complexes Containing Tertiary Phosphines and Hydrotris(pyrazol-1-yl)-, Hydrotris(4-bromopyrazol-1-yl)-, Hydrotris(3,5-dimethypyrazol-1-yl)-, and Hydrotris(3-methyl-2-thioxo-1-imidazolyl)borates
• Authors of publication: C. Santini; G. Gioia Lobbia; C. Pettinari; M. Pellei; G. Valle; S. Calogero
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 890 - 900
• a: 34.839 ± 0.003 Å
• b: 10.375 ± 0.002 Å
• c: 10.203 ± 0.002 Å
• α: 90°
• β: 90.8 ± 0.1°
• γ: 90°
• Cell volume: 3687.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.0998
• Goodness-of-fit parameter for all reflections: 0.811
• Goodness-of-fit parameter for significantly intense reflections: 0.855
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No