Crystallography Open Database

Information card for entry 4328652

Preview

Coordinates	4328652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H119 N4 O10 P8 Ti2
Calculated formula	C51 H119 N4 O10 P8 Ti2
Title of publication	Tetravalent Titanium, Zirconium, and Cerium Oxo and Peroxo Complexes Containing an Imidodiphosphinate Ligand
Authors of publication	Guo-Cang Wang; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3640 - 3647
a	13.5594 ± 0.0005 Å
b	23.8906 ± 0.0006 Å
c	21.9309 ± 0.0006 Å
α	90°
β	92.523 ± 0.003°
γ	90°
Cell volume	7097.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.057
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179389 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/86.	4328652.cif
77646	2013-03-29	cif/ Adding structures of 4328652 via cif-deposit CGI script.	4328652.cif