Crystallography Open Database

Information card for entry 1518680

Preview

Coordinates	1518680.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	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	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
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.	1518680.cif
135100	2015-04-06	cif/ Updating files of 1518680, 1518681 Original log message: Adding full bibliography for 1518680--1518681.cif.	1518680.cif
131235	2015-02-06	cif/ Adding structures of 1518680, 1518681 via cif-deposit CGI script.	1518680.cif