Information card for entry 4317613

Structure parameters

• Common name: [(CuCl)6(P(OPh)3)6(Trz)2].2CHCl3
• Chemical name: cyclo-hexa-μ~2~-chloro-bis(μ~3~1,3,5-triazine-κ^3^N,N',N")- hexakis(triphenyl phosphite)-hexacopper(I)
• Formula: C116 H98 Cl12 Cu6 N6 O18 P6
• Calculated formula: C116 H98 Cl12 Cu6 N6 O18 P6
• Title of publication: 1,3,5-Triazine Templated Self-Assembly of a Hexameric Copper(I) Chloride Triphenyl Phosphite Core
• Authors of publication: Robert D. Pike; Brian D. Borne; Jonathan T. Maeyer; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 631 - 633
• a: 14.1849 ± 0.0007 Å
• b: 15.747 ± 0.0008 Å
• c: 29.6572 ± 0.0014 Å
• α: 76.433 ± 0.001°
• β: 79.512 ± 0.001°
• γ: 72.226 ± 0.001°
• Cell volume: 6088.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No