Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4335423
Preview
Coordinates | 4335423.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H56 As N5 Si3 Zr |
---|---|
Calculated formula | C35 H56 As N5 Si3 Zr |
SMILES | [Zr]1234(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)[N](=C4[As](c1ccccc1)c1ccccc1)Cc1ccccc1 |
Title of publication | Zirconium-Mediated Synthesis of Arsaalkene Compounds from Arsines and Isocyanides |
Authors of publication | Annalese F. Maddox; Jillian J. Davidson; Tamila Shalumova; Joseph M. Tanski; Rory Waterman |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 7811 - 7816 |
a | 11.3035 ± 0.0005 Å |
b | 19.5564 ± 0.0009 Å |
c | 19.086 ± 0.0009 Å |
α | 90° |
β | 106.078 ± 0.001° |
γ | 90° |
Cell volume | 4054 ± 0.3 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 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 | 0.0408 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections included in the refinement | 0.0681 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179457 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54. |
4335423.cif |
101351 | 2014-02-11 | cif/ Adding structures of 4335423 via cif-deposit CGI script. |
4335423.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.