Information card for entry 1569316

Structure parameters

• Formula: C20 H17 Cl2 N4 Sb
• Calculated formula: C20 H17 Cl2 N4 Sb
• SMILES: [Sb](Cl)(Cl)([n]1ccccc1)(c1cnccc1)(c1cccnc1)c1cnccc1
• 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: 9.8444 ± 0.0006 Å
• b: 7.4353 ± 0.0004 Å
• c: 14.6876 ± 0.0008 Å
• α: 90°
• β: 106.385 ± 0.006°
• γ: 90°
• Cell volume: 1031.41 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No