Information card for entry 4087473

Structure parameters

• Formula: C94 H112 Mg2 N4 O4
• Calculated formula: C94 H112 Mg2 N4 O4
• SMILES: C(CCN1CCCCC1)(c1ccccc1)([O]1[Mg](OC(CCN2CCCCC2)(c2ccccc2)c2ccccc2)[O](C(CCN2CCCCC2)(c2ccccc2)c2ccccc2)[Mg]1OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C
• 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: 13.79 ± 0.004 Å
• b: 18.241 ± 0.003 Å
• c: 33.719 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8482 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No