Information card for entry 7005280

Structure parameters

• Common name: (2,2-bis(benzanthracenol imine)binaphthyl Zn(ii))2 (CH2CL2)2 (Et2O)
• Chemical name: [2,2-bis(benzanthracenol imine)binaphthyl Zn(II)]2 (CH2CL2)2 (Et2O)
• Formula: C122 H82 Cl4 N4 O5 Zn2
• Calculated formula: C122 H82 Cl4 N4 O5 Zn2
• SMILES: [Zn]123Oc4c5c(ccc4C=[N]1c1c(c4c(cc1)cccc4)c1c4c(ccc1[N]3=Cc1c(c3c(cc1)ccc1cc6ccccc6cc31)O2)cccc4)ccc1cc2ccccc2cc51.C(Cl)Cl.O(CC)CC
• Title of publication: Iron(II) and zinc(II) monohelical binaphthyl-salen complexes with overlapping benz[a]anthryl sidearms.
• Authors of publication: Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1520 - 1527
• a: 12.5693 ± 0.0017 Å
• b: 32.926 ± 0.004 Å
• c: 12.6967 ± 0.0017 Å
• α: 90°
• β: 119.512 ± 0.002°
• γ: 90°
• Cell volume: 4572.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No