Crystallography Open Database

Information card for entry 7018489

Preview

Coordinates	7018489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H80 Ni O4 P2
Calculated formula	C65 H80 Ni O4 P2
SMILES	[Ni]1(OC(=C[P]1(c1ccccc1OCCCCC)c1ccccc1OCCCCC)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1OCCCCC.CCCCCC
Title of publication	Synthesis, structure, and ethylene polymerization behavior of nickel complexes based on benzoylmethylenetri(2-alkoxylphenyl)phosphorane.
Authors of publication	Wan, Da-Wei; Gao, Yan-Shan; Li, Jun-Fang; Shen, Qi; Sun, Xiu-Li; Tang, Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	15
Pages of publication	4552 - 4557
a	14.5218 ± 0.0003 Å
b	23.7365 ± 0.0005 Å
c	18.5141 ± 0.0004 Å
α	90°
β	112.551 ± 0.001°
γ	90°
Cell volume	5893.8 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
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	0.0569
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179888 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/84.	7018489.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018489.cif
52117	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018487, 7018488, 7018489, 7018490 via cif-deposit CGI script.	7018489.cif