Information card for entry 4312623

Structure parameters

• Formula: C45 H52 Fe2 I2 N4 O2 P2 Zn2
• Calculated formula: C33 H32.6667 Fe1.33333 I1.33333 N2.66667 O1.66667 P1.33333 Zn1.33333
• Title of publication: Synthesis and Structural Characterization of Double Metal Cyanides of Iron and Zinc: Catalyst Precursors for the Copolymerization of Carbon Dioxide and Epoxides
• Authors of publication: Donald J. Darensbourg; M. Jason Adams; Jason C. Yarbrough; Andrea L. Phelps
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7809 - 7818
• a: 29.029 ± 0.011 Å
• b: 18.924 ± 0.007 Å
• c: 9.052 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4973 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1619
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No