Information card for entry 4301837

Structure parameters

• Common name: [Mg(O-2,6-Ph2C6H3)2(H-TMG)2] (6a)
• Formula: C46 H52 Mg N6 O2
• Calculated formula: C46 H52 Mg N6 O2
• SMILES: [Mg](Oc1c(cccc1c1ccccc1)c1ccccc1)(Oc1c(cccc1c1ccccc1)c1ccccc1)([NH]=C(N(C)C)N(C)C)[NH]=C(N(C)C)N(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: 16.16 ± 0.003 Å
• b: 12.509 ± 0.003 Å
• c: 20.64 ± 0.004 Å
• α: 90°
• β: 91.491 ± 0.004°
• γ: 90°
• Cell volume: 4170.9 ± 1.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.1211
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No