Information card for entry 7124604

Structure parameters

• Common name: {[CpNi(IMes)]2P4}1.5(tol)
• Chemical name: 1
• Formula: C62.5 H70 N4 Ni2 P4
• Calculated formula: C62.5 H70 N4 Ni2 P4
• Title of publication: Insertion of phenyl isothiocyanate into a P-P bond of a nickel-substituted bicyclo[1.1.0]tetraphosphabutane.
• Authors of publication: Pelties, Stefan; Ehlers, Andreas W.; Wolf, Robert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 39
• Pages of publication: 6601 - 6604
• a: 12.4093 ± 0.0004 Å
• b: 13.1987 ± 0.0002 Å
• c: 18.3557 ± 0.0004 Å
• α: 79.4323 ± 0.0017°
• β: 76.229 ± 0.002°
• γ: 84.6926 ± 0.0019°
• Cell volume: 2866.71 ± 0.12 ų
• Cell temperature: 122.9 ± 0.2 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No