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Information card for entry 7101136
Preview
Coordinates | 7101136.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H86 Mg2 N4 Na2 O2 |
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Calculated formula | C36 H86 Mg2 N4 Na2 O2 |
SMILES | [Mg]1([O]([Na]2[N](C)(C)CC[N]2(C)C)(C(C)(C)C)[Mg]([O]1([Na]1[N](C)(C)CC[N]1(C)C)C(C)(C)C)(CCCC)CCCC)(CCCC)CCCC |
Title of publication | Crystallographic characterisation of binary alkali metal alkoxide magnesium bis(alkyl) mixtures: differential binding of Na+ and K+ to a common dinuclear diorganomagnesiate |
Authors of publication | Robert Mulvey; Nicholas D.R. Barnett; William Clegg; Alan R. Kennedy; Susan Weatherstone |
Journal of publication | Chemical Communications |
Year of publication | 2005 |
Journal issue | 3 |
a | 11.71 ± 0.003 Å |
b | 14.312 ± 0.003 Å |
c | 14.52 ± 0.004 Å |
α | 90° |
β | 101.787 ± 0.015° |
γ | 90° |
Cell volume | 2382.1 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1256 |
Residual factor for significantly intense reflections | 0.0723 |
Weighted residual factors for significantly intense reflections | 0.2105 |
Weighted residual factors for all reflections included in the refinement | 0.2511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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