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Information card for entry 2237416
Preview
Coordinates | 2237416.cif |
---|---|
Structure factors | 2237416.hkl |
Original IUCr paper | HTML |
Chemical name | {Bis[<i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>'',<i>N</i>''-bis(trimethylsilyl)guanidinato-κ^2^<i>N</i>,<i>N</i>']neodymium(III)}di-μ-chlorido-[bis(tetrahydrofuran-κ<i>O</i>)lithium] |
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Formula | C46 H96 Cl2 Li N6 Nd O2 Si4 |
Calculated formula | C46 H96 Cl2 Li N6 Nd O2 Si4 |
SMILES | [Nd]123([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)([N](=C(N2C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1)[N](=C(N3C1CCCCC1)N([Si](C)(C)C)[Si](C)(C)C)C1CCCCC1 |
Title of publication | {Bis[<i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>'',<i>N</i>''-bis(trimethylsilyl)guanidinato-κ^2^<i>N</i>,<i>N</i>']neodymium(III)}di-μ-chlorido-[bis(tetrahydrofuran-κ<i>O</i>)lithium] |
Authors of publication | Chi, Shu-Hui; Chen, Jue |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 2 |
Pages of publication | m121 |
a | 24.1739 ± 0.0016 Å |
b | 13.5238 ± 0.0008 Å |
c | 18.8108 ± 0.0013 Å |
α | 90° |
β | 103.215 ± 0.002° |
γ | 90° |
Cell volume | 5986.8 ± 0.7 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 8 |
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 | 0.06 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1047 |
Weighted residual factors for all reflections included in the refinement | 0.1106 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2237416.html
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Users of the data should acknowledge the original authors of the
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