Information card for entry 7002462

Structure parameters

• Formula: C56 H60 Cl4 N2 O2 Zn
• Calculated formula: C56 H60 Cl4 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(c4ccc(cc4cc3C(C)(C)C)C(C)(C)C)c3[n]1ccc1ccccc31)Oc1c(c3ccc(cc3cc1C(C)(C)C)C(C)(C)C)c1[n]2ccc2ccccc12.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and structures of complexes with axially chiral isoquinolinyl-naphtholate ligands
• Authors of publication: Howard, Ruth H.; Alonso-Moreno, Carlos; Broomfield, Lewis M.; Hughes, David L.; Wright, Joseph A.; Bochmann, Manfred
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8667 - 8682
• a: 11.3702 ± 0.0007 Å
• b: 22.8448 ± 0.0008 Å
• c: 19.5818 ± 0.001 Å
• α: 90°
• β: 101.385 ± 0.005°
• γ: 90°
• Cell volume: 4986.3 ± 0.4 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No