Crystallography Open Database

Information card for entry 7018488

Preview

Coordinates	7018488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H54 Ni O4 P2
Calculated formula	C53 H54 Ni O4 P2
SMILES	[Ni]1([P](C=C(O1)c1ccccc1)(c1ccccc1OC(C)C)c1c(OC(C)C)cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1OC(C)C
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	17.5838 ± 0.0015 Å
b	13.0885 ± 0.0011 Å
c	20.7174 ± 0.0018 Å
α	90°
β	97.551 ± 0.002°
γ	90°
Cell volume	4726.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	0.864
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
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.	7018488.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018488.cif
52117	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018487, 7018488, 7018489, 7018490 via cif-deposit CGI script.	7018488.cif