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Information card for entry 4301833
Preview
Coordinates | 4301833.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Mg(TMBA)(DBP)(H-TMG)]2 (3) |
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Formula | C58 H90 Mg2 N6 O6 |
Calculated formula | C58 H90 Mg2 N6 O6 |
SMILES | c1(c(cccc1C(C)(C)C)C(C)(C)C)O[Mg]1(/[NH]=C(/N(C)C)N(C)C)[O]=C(O[Mg](/[NH]=C(N(C)C)/N(C)C)(Oc2c(cccc2C(C)(C)C)C(C)(C)C)[O]=C(O1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)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 | 12.86 ± 0.003 Å |
b | 10.75 ± 0.002 Å |
c | 22.2 ± 0.004 Å |
α | 90° |
β | 102.53 ± 0.03° |
γ | 90° |
Cell volume | 2995.9 ± 1.1 Å3 |
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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0503 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.1233 |
Weighted residual factors for all reflections included in the refinement | 0.137 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4301833.html
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