Information card for entry 1100602

Structure parameters

• Formula: C45 H84 Cd4 I4 N4 P4
• Calculated formula: C45 H84 Cd4 I4 N4 P4
• Title of publication: Heterocubane Phosphoraniminato Complexes of Cadmium
• Authors of publication: Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Journal issue: 5
• Pages of publication: 1099 - 1104
• a: 17.842 ± 0.002 Å
• b: 17.842 ± 0.002 Å
• c: 17.29 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4766.6 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No