Information card for entry 4333219

Structure parameters

• Formula: C20 H27 K N5 O
• Calculated formula: C18 H24 K N4 O6
• Title of publication: Toward actinide molecular magnetic materials: coordination polymers of U(IV) and the organic acceptors TCNQ and TCNE.
• Authors of publication: Schelter, Eric J.; Morris, David E.; Scott, Brian L.; Thompson, Joe D.; Kiplinger, Jaqueline L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5528 - 5536
• a: 27.054 ± 0.003 Å
• b: 12.1104 ± 0.0015 Å
• c: 15.1194 ± 0.0019 Å
• α: 90°
• β: 98.159 ± 0.002°
• γ: 90°
• Cell volume: 4903.5 ± 1 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No