Information card for entry 4131095

Structure parameters

• Formula: C24 H36 Cl6 N2 Sb
• Calculated formula: C24 H36 Cl6 N2 Sb
• SMILES: c1(ccc(cc1)N(C(C)C)C(C)C)c1ccc(cc1)N(C(C)C)C(C)C.Cl[Sb](Cl)(Cl)(Cl)(Cl)[Cl-]
• Title of publication: Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor-Bridge-Donor Wires.
• Authors of publication: Wang, Denan; Talipov, Marat R.; Ivanov, Maxim V.; Rathore, Rajendra
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16337 - 16344
• a: 9.1227 ± 0.0006 Å
• b: 12.7639 ± 0.0008 Å
• c: 12.5204 ± 0.0009 Å
• α: 90°
• β: 93.258 ± 0.006°
• γ: 90°
• Cell volume: 1455.53 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No