Information card for entry 7704883

Structure parameters

• Formula: C36 H52 N6 O2
• Calculated formula: C36 H52 N6 O2
• SMILES: Oc1c(/C=N/N(C)c2ncnc(N(/N=C/c3c(O)c(cc(c3)C(C)(C)C)C(C)(C)C)C)c2)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: Mono and dinuclear iridium(iii) complexes featuring bis-tridentate coordination and Schiff-base bridging ligands: the beneficial effect of a second metal ion on luminescence.
• Authors of publication: Puttock, Emma V.; Sil, Amit; Yufit, Dmitry S.; Williams, J. A. Gareth
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10463 - 10476
• a: 12.1186 ± 0.0012 Å
• b: 12.2241 ± 0.001 Å
• c: 12.9851 ± 0.0011 Å
• α: 72.172 ± 0.003°
• β: 77.714 ± 0.003°
• γ: 88.934 ± 0.003°
• Cell volume: 1787 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No