Information card for entry 7007722

Structure parameters

• Formula: C28 H21 Cl N4 Zn
• Calculated formula: C28 H21 Cl N4 Zn
• SMILES: [Zn]123(Cl)[n]4cccc5c4c(N3C=C(c3ccc(cc3)C)C=[N]2c2c3[n]1cccc3ccc2)ccc5
• Title of publication: Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.
• Authors of publication: Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 40
• Pages of publication: 4814 - 4820
• a: 9.1946 ± 0.0013 Å
• b: 10.9583 ± 0.0016 Å
• c: 12.482 ± 0.0018 Å
• α: 96.338 ± 0.002°
• β: 96.555 ± 0.002°
• γ: 113.305 ± 0.002°
• Cell volume: 1130.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No