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Information card for entry 7014312
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7014312.cif |
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Original paper (by DOI) | HTML |
Formula | C49 H95 B N6 O Si2 Sm |
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Calculated formula | C35 H67 B N6 O Si2 Sm |
SMILES | [Sm]12([O]3CCCC3)([n]3n(c(cc3C(C)(C)C)C)[BH](n3[n]1c(cc3C)C(C)(C)C)n1[n]2c(cc1C)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C |
Title of publication | Stable heteroleptic complexes of divalent lanthanides with bulky pyrazolylborate ligands‒iodides, hydrocarbyls and triethylborohydrides. |
Authors of publication | Zhang, X. W.; Maunder, Graham H.; Giessmann, Stefan; MacDonald, Robert; Ferguson, Michael J.; Bond, Andrew H.; Rogers, Robin D.; Sella, Andrea; Takats, Josef |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 1 |
Pages of publication | 195 - 210 |
a | 12.1033 ± 0.0009 Å |
b | 16.3329 ± 0.0013 Å |
c | 16.7012 ± 0.0013 Å |
α | 65.792 ± 0.001° |
β | 70.674 ± 0.001° |
γ | 89.696 ± 0.002° |
Cell volume | 2808.7 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0777 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1175 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
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/7014312.html
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Users of the data should acknowledge the original authors of the
structural data.