Information card for entry 7127681

Structure parameters

• Formula: C40 H42 Cl2 F12 N10 Ni2 P2
• Calculated formula: C40 H42 Cl2 F12 N10 Ni2 P2
• 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: 11.1857 ± 0.0004 Å
• b: 14.8673 ± 0.0005 Å
• c: 14.6645 ± 0.0005 Å
• α: 90°
• β: 109.281 ± 0.0012°
• γ: 90°
• Cell volume: 2301.94 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No