Information card for entry 7033210

Structure parameters

• Formula: C24 H16 Cl3 F N4
• Calculated formula: C24 H16 Cl3 F N4
• SMILES: Fc1ccc(cc1)c1c2[nH]c(nc2c(cc1)c1ccncc1)c1ccncc1.C(Cl)(Cl)Cl
• Title of publication: Assembly of a M4L4 "folded-cube" using a T-shaped, right-angled ligand.
• Authors of publication: Elguraish, Ismail; Zhu, Kelong; Hernandez, Leslie A.; Amarne, Hazem; Luo, Jingwei; Vukotic, V. Nicholas; Loeb, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 898 - 902
• a: 9.0898 ± 0.0003 Å
• b: 10.2902 ± 0.0003 Å
• c: 13.0414 ± 0.0004 Å
• α: 80.2999 ± 0.0011°
• β: 89.0859 ± 0.0011°
• γ: 64.1607 ± 0.001°
• Cell volume: 1079.91 ± 0.06 ų
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0513
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No