Crystallography Open Database

Information card for entry 1543268

Preview

Coordinates	1543268.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(o-Cy2PC6H4SO3)Ni(allyl)] (1c)
Formula	C21 H31 Ni O3 P S
Calculated formula	C21 H31 Ni O3 P S
SMILES	[Ni]123([P](c4ccccc4S(=O)(=O)O1)(C1CCCCC1)C1CCCCC1)[CH2]=[CH]3C2
Title of publication	Influence of ligand second coordination sphere effects on the olefin (co)polymerization properties of α-diimine Pd(ii) catalysts
Authors of publication	Wang, Ruikun; Zhao, Minhui; Chen, Changle
Journal of publication	Polym. Chem.
Year of publication	2016
Journal volume	7
Journal issue	23
Pages of publication	3933
a	9.5684 ± 0.0003 Å
b	16.352 ± 0.0005 Å
c	13.9609 ± 0.0004 Å
α	90°
β	95.255 ± 0.003°
γ	90°
Cell volume	2175.18 ± 0.11 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 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	0.0418
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
183798 (current)	2016-06-18	cif/ Updating files of 1543268 Original log message: Adding full bibliography for 1543268.cif.	1543268.cif
182811	2016-05-06	cif/ Adding structures of 1543268 via cif-deposit CGI script.	1543268.cif