Information card for entry 4087472

Structure parameters

• Formula: C76 H104 Cl4 Mg2 N4 O6
• Calculated formula: C76 H104 Cl4 Mg2 N4 O6
• SMILES: C1(CCCCC1)([C@H](CN(C)C)c1ccc(OC)cc1)[O]1[Mg](OC(CCN2CCCCC2)(c2ccccc2)c2ccccc2)[O](C2(CCCCC2)[C@@H](CN(C)C)c2ccc(OC)cc2)[Mg]1OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and Structural Characterization of Magnesium Drug Complexes: Efficient Initiators for Forming Polylactide‒Drug Conjugates
• Authors of publication: Han, Tomasz; Petrus, Rafał; Bykowski, Dominik; Jerzykiewicz, Lucjan; Sobota, Piotr
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4871
• a: 11.555 ± 0.003 Å
• b: 12.069 ± 0.003 Å
• c: 14.059 ± 0.004 Å
• α: 82.1 ± 0.02°
• β: 76.22 ± 0.02°
• γ: 71.95 ± 0.02°
• Cell volume: 1806.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2404
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.2458
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No