Information card for entry 7127680

Structure parameters

• Formula: C38 H36 F7 N8 Ni P
• Calculated formula: C38 H36 F7 N8 Ni P
• SMILES: [Ni]123(F)([N](Cc4[n]1c(Nc1ccccc1)ccc4)(Cc1[n]2c(Nc2ccccc2)ccc1)Cc1[n]3c(Nc2ccccc2)ccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Hydrogen-bonded nickel(I) complexes.
• Authors of publication: Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 753 - 756
• a: 14.3923 ± 0.0006 Å
• b: 16.9751 ± 0.0006 Å
• c: 29.3848 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7179 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No