Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518681
Preview
Coordinates | 1518681.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [(o-Cy2-PC6H4SO3B(C6F5)3)Ni(allyl)] |
---|---|
Formula | C46 H39 B F15 Ni O3 P S |
Calculated formula | C46 H39 B F15 Ni O3 P S |
SMILES | [Ni]123([P](c4c(S(=[O][B](c5c(F)c(F)c(F)c(F)c5F)(c5c(F)c(c(F)c(c5F)F)F)c5c(F)c(F)c(F)c(F)c5F)(O1)=O)cccc4)(C1CCCCC1)C1CCCCC1)C[CH]3=[CH2]2.c1(ccccc1)C |
Title of publication | Norbornene homopolymerization and copolymerization with ethylene by phosphine-sulfonate nickel catalysts |
Authors of publication | Chen, Min; Zou, Wenping; Cai, Zhengguo; Chen, Changle |
Journal of publication | Polym. Chem. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 14 |
Pages of publication | 2669 |
a | 24.5629 ± 0.0003 Å |
b | 15.6599 ± 0.0002 Å |
c | 11.5597 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4446.47 ± 0.09 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 8 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0355 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0906 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518681.cif |
135100 | 2015-04-06 | cif/ Updating files of 1518680, 1518681 Original log message: Adding full bibliography for 1518680--1518681.cif. |
1518681.cif |
131235 | 2015-02-06 | cif/ Adding structures of 1518680, 1518681 via cif-deposit CGI script. |
1518681.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.