Information card for entry 4304009

Structure parameters

• Formula: C68 H52 N6 O4 Zn
• Calculated formula: C68 H52 N6 O4 Zn
• SMILES: c12n(c(c3ccccc3)cc2c2ccc(OC)cc2)[Zn]2([n]3c(c(cc3c3ccccc3)c3ccc(OC)cc3)=N1)[n]1c(=Nc3c(cc(c4ccccc4)n23)c2ccc(OC)cc2)c(cc1c1ccccc1)c1ccc(OC)cc1
• Title of publication: Homoleptic, Four-Coordinate Azadipyrromethene Complexes of d10 Zinc and Mercury
• Authors of publication: Thomas S. Teets; David V. Partyka; James B. Updegraff; Thomas G. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2338 - 2346
• a: 21.149 ± 0.006 Å
• b: 10.888 ± 0.003 Å
• c: 22.737 ± 0.005 Å
• α: 90°
• β: 94.7 ± 0.005°
• γ: 90°
• Cell volume: 5218 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No