Information card for entry 7032206

Structure parameters

• Formula: C33.5 H27 B Cl F2 N5 O2 Pd
• Calculated formula: C33 H26 B F2 N5 O2 Pd
• SMILES: CC1=[O][Pd]2(OC(=C1)C)n1cccc1C(=c1ccc[n]21)c1ccc(c2ccc3C(c4ccccc4)=c4ccc[n]4[B](n23)(F)F)[nH]1
• Title of publication: Synthesis, structure and spectral and electrochemical properties of 3-pyrrolyl BODIPY-metal dipyrrin complexes.
• Authors of publication: Lakshmi, V.; Lee, Way-Zen; Ravikanth, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 16006 - 16014
• a: 13.2813 ± 0.0018 Å
• b: 27.766 ± 0.004 Å
• c: 8.8018 ± 0.0014 Å
• α: 90°
• β: 100.405 ± 0.005°
• γ: 90°
• Cell volume: 3192.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1437
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No