Information card for entry 7031241

Structure parameters

• Formula: C28 H30 N4 Pd
• Calculated formula: C28 H30 N4 Pd
• SMILES: c12C(c3ccc4C=c5ccc6C(c7ccc8C=c(cc1)[n]2[Pd](n34)([n]56)n78)(CC)CC)(CC)CC
• Title of publication: Exploring anagostic interactions in 5,15-porphodimethene metal complexes.
• Authors of publication: Derry Holaday, M. G.; Tarafdar, Gourav; Kumar, Arun; Reddy, M. L. P.; Srinivasan, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7699 - 7703
• a: 16.5817 ± 0.0015 Å
• b: 14.4709 ± 0.0012 Å
• c: 20.188 ± 0.002 Å
• α: 90°
• β: 99.123 ± 0.005°
• γ: 90°
• Cell volume: 4782.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No