Information card for entry 2012956

Structure parameters

• Chemical name: Bis[bis(trichlorophosphino)iminium] di-μ-chloro-bis[tetrachlorozirconium(IV)]
• Formula: Cl22 N2 P4 Zr2
• Calculated formula: Cl22 N2 P4 Zr2
• SMILES: [Zr]1([Cl][Zr]([Cl]1)(Cl)(Cl)(Cl)Cl)(Cl)(Cl)(Cl)Cl.ClP(Cl)(Cl)=N[P+](Cl)(Cl)Cl.ClP(Cl)(Cl)=N[P+](Cl)(Cl)Cl
• Title of publication: Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions
• Authors of publication: Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: i114 - i118
• a: 18.0456 ± 0.0004 Å
• b: 11.4295 ± 0.0006 Å
• c: 15.7039 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3239 ± 0.2 ų
• Cell temperature: 250 ± 1 K
• Ambient diffraction temperature: 250 ± 1 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes