Information card for entry 7045641

Structure parameters

• Formula: C64 H78 N4 Zn
• Calculated formula: C64 H78 N4 Zn
• SMILES: [Zn]12([N](=Cc3c1c(ccc3)/C=N/c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](=Cc1c2c(ccc1)/C=N/c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Neutral and anionic zinc compounds supported by a bis(imino)phenyl NCN ligand.
• Authors of publication: Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 4607 - 4612
• a: 13.522 ± 0.004 Å
• b: 14.632 ± 0.004 Å
• c: 15.856 ± 0.005 Å
• α: 77.163 ± 0.004°
• β: 86.79 ± 0.004°
• γ: 67.573 ± 0.004°
• Cell volume: 2826 ± 1.4 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No