Information card for entry 7112861

Structure parameters

• Formula: C38 H20 F12 N4 O4 Pd2
• Calculated formula: C38 H20 F12 N4 O4 Pd2
• SMILES: C12N3c4c(C2=[N](c2ccccc2)[Pd]2(N5C=1C(c1ccccc51)=[N]([Pd]13[O]=C(C=C(C(F)(F)F)O1)C(F)(F)F)c1ccccc1)[O]=C(C=C(C(F)(F)F)O2)C(F)(F)F)cccc4
• Title of publication: "Nindigo": synthesis, coordination chemistry, and properties of indigo diimines as a new class of functional bridging ligands.
• Authors of publication: Oakley, Simon R.; Nawn, Graeme; Waldie, Kate M.; MacInnis, Timothy D.; Patrick, Brian O.; Hicks, Robin G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 6753 - 6755
• a: 5.3322 ± 0.0004 Å
• b: 10.7012 ± 0.0008 Å
• c: 15.9995 ± 0.0013 Å
• α: 80.166 ± 0.004°
• β: 88.826 ± 0.004°
• γ: 77.281 ± 0.004°
• Cell volume: 877.32 ± 0.12 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 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: 0.0479
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No