Information card for entry 4335864

Structure parameters

• Formula: C48 H53 B2 Co F8 N4 P4
• Calculated formula: C48 H53 B2 Co F8 N4 P4
• SMILES: [CoH]123([N]#CC)[P](c4ccccc4)(c4ccccc4)CC[P]41CN(c1ccccc1)C[P]2(CN(c1ccccc1)C4)CC[P]3(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC
• Title of publication: Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines
• Authors of publication: Eric S. Wiedner; John A. S. Roberts; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois; R. Morris Bullock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9975 - 9988
• a: 20.6942 ± 0.0008 Å
• b: 18.8403 ± 0.0007 Å
• c: 12.7507 ± 0.0005 Å
• α: 90°
• β: 102.536 ± 0.002°
• γ: 90°
• Cell volume: 4852.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No