Information card for entry 4322662

Structure parameters

• Formula: C30 H31 Ag B N6 P
• Calculated formula: C30 H31 Ag B N6 P
• SMILES: [Ag]12([n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21)[P](c1ccccc1C)(c1ccccc1C)c1ccccc1C
• 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: 14.461 ± 0.002 Å
• b: 14.461 ± 0.002 Å
• c: 30.473 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5518.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.2015
• Weighted residual factors for significantly intense reflections: 0.1761
• Goodness-of-fit parameter for all reflections: 1.316
• Goodness-of-fit parameter for significantly intense reflections: 1.396
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No