Information card for entry 4301832

Structure parameters

• Common name: [Mg(OBc)(DBP)(H-TMG)]2 (2)
• Formula: C48 H86 Mg2 N6 O6
• Calculated formula: C48 H86 Mg2 N6 O6
• SMILES: C(C)(C)(C)c1c(c(ccc1)C(C)(C)C)O[Mg]1(/[NH]=C(/N(C)C)N(C)C)OC(=[O][Mg](/[NH]=C(N(C)C)/N(C)C)(Oc2c(cccc2C(C)(C)C)C(C)(C)C)OC(=[O]1)C(C)(C)C)C(C)(C)C
• Title of publication: Structurally Characterized 1,1,3,3-Tetramethylguanidine Solvated Magnesium Aryloxide Complexes: [Mg(μ-OEt)(DBP)(H-TMG)]2, [Mg(μ-OBc)(DBP)(H-TMG)]2, [Mg(μ-TMBA)(DBP)(H-TMG)]2, [Mg(μ-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2], [Mg(O-2,6-Ph2C6H3)2(H-TMG)2]
• Authors of publication: Jessie D. Monegan; Scott D. Bunge
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3248 - 3256
• a: 14.002 ± 0.003 Å
• b: 13.167 ± 0.003 Å
• c: 14.213 ± 0.003 Å
• α: 90°
• β: 90.798 ± 0.003°
• γ: 90°
• Cell volume: 2620.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No