Information card for entry 4301831

Structure parameters

• Common name: [Mg(OEt)(DBP)(H-TMG)]2 (1)
• Formula: C42 H78 Mg2 N6 O4
• Calculated formula: C42 H78 Mg2 N6 O4
• SMILES: [Mg]1([NH]=C(N(C)C)N(C)C)([O]([Mg]([NH]=C(N(C)C)N(C)C)([O]1CC)Oc1c(cccc1C(C)(C)C)C(C)(C)C)CC)Oc1c(cccc1C(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: 9.817 ± 0.004 Å
• b: 15.642 ± 0.007 Å
• c: 16.383 ± 0.007 Å
• α: 80.553 ± 0.009°
• β: 87.78 ± 0.009°
• γ: 74.55 ± 0.008°
• Cell volume: 2391.9 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2002
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No