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Information card for entry 4081673
Preview
Coordinates | 4081673.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H83 N8 P2 Sc |
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Calculated formula | C76 H83 N8 P2 Sc |
SMILES | [Sc]12([N](c3ccccc3)=P(c3ccccc3)(c3ccccc3)[N]1=P(c1ccccc1)(c1ccccc1)N2c1ccccc1)([n]1ccc(N(C)C)cc1)(=Nc1c(cccc1C(C)C)C(C)C)[n]1ccc(N(C)C)cc1.c1ccccc1C.c1c(cccc1)C |
Title of publication | Facile Preparation of a Scandium Terminal Imido Complex Supported by a Phosphazene Ligand |
Authors of publication | Rong, Weifeng; Cheng, Jianhua; Mou, Zehuai; Xie, Hongyan; Cui, Dongmei |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 19 |
Pages of publication | 5523 |
a | 13.9704 ± 0.0013 Å |
b | 18.0085 ± 0.0017 Å |
c | 26.947 ± 0.003 Å |
α | 90° |
β | 97.053 ± 0.002° |
γ | 90° |
Cell volume | 6728.2 ± 1.2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.1129 |
Residual factor for significantly intense reflections | 0.0688 |
Weighted residual factors for significantly intense reflections | 0.1936 |
Weighted residual factors for all reflections included in the refinement | 0.23 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4081673.html
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Users of the data should acknowledge the original authors of the
structural data.