Information card for entry 7002463

Structure parameters

• Formula: C120 H140 Mg2 N4 O4
• Calculated formula: C120 H140 Mg2 N4 O4
• SMILES: c1(c2[n]3ccc4ccccc24)c(c(cc2c1ccc(c2)C(C)(C)C)C(C)(C)C)[O]1[Mg]23(Oc3c(c4c(cc3C(C)(C)C)cc(cc4)C(C)(C)C)c3[n]2ccc2ccccc23)[O](c2c(c3c(cc2C(C)(C)C)cc(cc3)C(C)(C)C)c2[n]3ccc4ccccc24)[Mg]321Oc1c(c3c(cc1C(C)(C)C)cc(cc3)C(C)(C)C)c1[n]2ccc2ccccc12.CCCC(C)C.CCCC(C)C
• 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: 29.69 ± 0.002 Å
• b: 17.4249 ± 0.0015 Å
• c: 22.903 ± 0.0018 Å
• α: 90°
• β: 109.804 ± 0.007°
• γ: 90°
• Cell volume: 11148 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1505
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No