Information card for entry 7035600

Structure parameters

• Formula: C56 H72 Cl N4 O2 Zn
• Calculated formula: C56 H72 Cl N4 O2 Zn
• SMILES: [Zn]12(Cl)([N](=C(c3ccccc3)c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[n]1ccccc1.CCOCC.CCOCC
• Title of publication: Synthesis and characterization of bis(imino)pyridine complexes of divalent Mg and Zn.
• Authors of publication: Myers, Thomas W.; Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5989 - 5998
• a: 16.3329 ± 0.0007 Å
• b: 23.2052 ± 0.001 Å
• c: 26.7476 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10137.6 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No