Information card for entry 7037244

Structure parameters

• Formula: C44 H62 N2 O2 Zn2
• Calculated formula: C44 H62 N2 O2 Zn2
• SMILES: c12c(cc(cc1)C(C)(C)C)C[N](C)([C@@H](C)c1ccccc1)[Zn]1([O]2[Zn]2([N](Cc3c(ccc(c3)C(C)(C)C)[O]12)(C)[C@H](C)c1ccccc1)CC)CC
• Title of publication: Zebra reaction or the recipe for the synthesis of heterodimeric zinc complexes.
• Authors of publication: Jędrzkiewicz, D; Ejfler, J.; John, Ł; Szafert, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2829 - 2838
• a: 14.582 ± 0.005 Å
• b: 10.542 ± 0.003 Å
• c: 13.03 ± 0.004 Å
• α: 90°
• β: 98.64 ± 0.03°
• γ: 90°
• Cell volume: 1980.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No