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Information card for entry 7016516
Preview
Coordinates | 7016516.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | META-(Mg3(iPrN-BH-N(iPr)-BH3)2 |
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Formula | C55 H95 B4 Mg3 N8 |
Calculated formula | C52 H88 B4 Mg3 N8 |
SMILES | [Mg]12[N](=C(C)C=C(N1c1cccc(N3[Mg]([N](=C(C=C3C)C)c3c(cccc3C(C)C)C(C)C)[N]3(B[N]([Mg]43[N]2(B[N]4([BH3])C(C)C)C(C)C)([BH3])C(C)C)C(C)C)c1)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Binuclear magnesium amidoborane complexes: characterization of a trinuclear thermal decomposition product. |
Authors of publication | Spielmann, Jan; Harder, Sjoerd |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 33 |
Pages of publication | 8314 - 8319 |
a | 10.9417 ± 0.0012 Å |
b | 16.6877 ± 0.0018 Å |
c | 17.8037 ± 0.0019 Å |
α | 93.865 ± 0.007° |
β | 106.518 ± 0.007° |
γ | 103.888 ± 0.007° |
Cell volume | 2993.2 ± 0.6 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 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 | 0.1318 |
Residual factor for significantly intense reflections | 0.0778 |
Weighted residual factors for significantly intense reflections | 0.1899 |
Weighted residual factors for all reflections included in the refinement | 0.2166 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
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/7016516.html
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Users of the data should acknowledge the original authors of the
structural data.