Information card for entry 1569313

Structure parameters

• Formula: C148 H97 Cl3 N15 Sb Zn3
• Calculated formula: C148 H97 Cl3 N15 Sb Zn3
• SMILES: [Sb](c1c[n]([Zn]234[n]5c6=C(c7n2c(C(=c2[n]3c(C(=c3n4c(=C(c5cc6)c4ccccc4)cc3)c3ccccc3)cc2)c2ccccc2)cc7)c2ccccc2)ccc1)(c1c[n]([Zn]234n5c6C(=c7[n]2c(C(=c2n3c(=C(c3[n]4c(=C(c5cc6)c4ccccc4)cc3)c3ccccc3)cc2)c2ccccc2)cc7)c2ccccc2)ccc1)c1c[n]([Zn]234n5c6=C(c7[n]2c(=C(c2n3c(C(=c3[n]4c(C(=c5cc6)c4ccccc4)cc3)c3ccccc3)cc2)c2ccccc2)cc7)c2ccccc2)ccc1.C(Cl)(Cl)Cl
• Title of publication: Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.
• Authors of publication: García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6522 - 6530
• a: 11.5963 ± 0.0003 Å
• b: 21.0912 ± 0.0005 Å
• c: 28.0154 ± 0.0006 Å
• α: 86.6057 ± 0.0018°
• β: 79.266 ± 0.002°
• γ: 77.064 ± 0.002°
• Cell volume: 6560.2 ± 0.3 ų
• Cell temperature: 180.1 ± 0.2 K
• Ambient diffraction temperature: 180.1 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No