Information card for entry 1569522

Structure parameters

• Formula: C18 H16 N6
• Calculated formula: C18 H16 N6
• SMILES: n1(nnc(c2cnccc2)c1)Cc1ccc(Cn2cncc2)cc1
• Title of publication: Exploiting reduced-symmetry ligands with pyridyl and imidazole donors to construct a second-generation stimuli-responsive heterobimetallic [PdPtL₄]⁴⁺ cage.
• Authors of publication: Pearcy, Aston C.; Lisboa, Lynn S.; Preston, Dan; Page, Nick B.; Lawrence, Tristan; Wright, L. James; Hartinger, Christian G.; Crowley, James D.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 32
• Pages of publication: 8615 - 8623
• a: 5.6355 ± 0.0005 Å
• b: 9.705 ± 0.0009 Å
• c: 14.0179 ± 0.0013 Å
• α: 87.811 ± 0.008°
• β: 79.902 ± 0.008°
• γ: 87.432 ± 0.008°
• Cell volume: 753.68 ± 0.12 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No