Information card for entry 4347240

Structure parameters

• Formula: C36 H84 Cu4 I4 Sb4
• Calculated formula: C36 H84 Cu4 I4 Sb4
• SMILES: [I]12[Cu]3456([I]7[Cu]8914([I]1[Cu]4258([I]3[Cu]67914[Sb](C(C)C)(C(C)C)C(C)C)[Sb](C(C)C)(C(C)C)C(C)C)[Sb](C(C)C)(C(C)C)C(C)C)[Sb](C(C)C)(C(C)C)C(C)C
• Title of publication: Antimony-Supported Cu4I4 Cuboid with Short Cu-Cu Bonds: Structural Premise for Near-Infrared Thermoluminescence.
• Authors of publication: Taylor, William V.; Soto, Ulysses H.; Lynch, Vincent M.; Rose, Michael J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3206 - 3208
• a: 14.076 ± 0.0002 Å
• b: 14.076 ± 0.0002 Å
• c: 14.076 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2788.93 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No