Crystallography Open Database

Information card for entry 4334264

Preview

Coordinates	4334264.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Tb(CyMe4-BTBP)2(H2O)](NO3)3.4EtOH
Formula	C72 H100 N19 O14 Tb
Calculated formula	C72 H96 N19 O14 Tb
Title of publication	Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants
Authors of publication	Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3429 - 3444
a	30.5621 ± 0.0007 Å
b	14.8217 ± 0.0004 Å
c	23.9083 ± 0.0006 Å
α	90°
β	129.428 ± 0.001°
γ	90°
Cell volume	8365.4 ± 0.4 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0944
Residual factor for significantly intense reflections	0.0915
Weighted residual factors for significantly intense reflections	0.2363
Weighted residual factors for all reflections included in the refinement	0.2381
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179445 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334264.cif
100081	2014-02-04	cif/ Adding structures of 4334264 via cif-deposit CGI script.	4334264.cif