Information card for entry 4341271

Structure parameters

• Formula: C52 H46 Cl4 N2 O2 P2 U
• Calculated formula: C52 H46 Cl4 N2 O2 P2 U
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.O=[U](Cl)(Cl)(=O)(Cl)Cl.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• Title of publication: Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO2Cl4(2-).
• Authors of publication: Schnaars, David D.; Wilson, Richard E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11036 - 11045
• a: 10.1875 ± 0.0007 Å
• b: 10.967 ± 0.0007 Å
• c: 12.5027 ± 0.0008 Å
• α: 65.361 ± 0.001°
• β: 84.735 ± 0.001°
• γ: 75.403 ± 0.001°
• Cell volume: 1228.57 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No