Information card for entry 7103604

Structure parameters

• Formula: C35 H35 N5 Pd
• Calculated formula: C35 H35 N5 Pd
• SMILES: [Pd]123C4=C5C=C6[N]3=C(C=C3N2C(=CC2=[N]1C(=CC4=NN5c1ccccc1)C(C)=C2CC)C(CC)=C3CC)C(CC)=C6C
• Title of publication: Adding to the confusion! Synthesis and metalation of pyrazole analogues of the porphyrins.
• Authors of publication: Lash, Timothy D; Young, Alexandra M; Von Ruden, Amber L; Ferrence, Gregory M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6309 - 6311
• a: 11.922 ± 0.002 Å
• b: 16.776 ± 0.003 Å
• c: 14.465 ± 0.003 Å
• α: 90°
• β: 102.546 ± 0.003°
• γ: 90°
• Cell volume: 2824 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No