Crystallography Open Database

Information card for entry 4334256

Preview

Coordinates	4334256.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Pr(CyMe4-BTPhen)2(NO3)][Pr(NO3)5].1.63EtOH.0.75H2O
Formula	C71.25 H87.25 N22 O20.38 Pr2
Calculated formula	C71.26 H85.78 N22 O20.39 Pr2
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	13.716 ± 0.005 Å
b	15.221 ± 0.005 Å
c	20.359 ± 0.005 Å
α	107.225 ± 0.005°
β	99.422 ± 0.005°
γ	97.083 ± 0.005°
Cell volume	3938 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1214
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	0.677
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4334256.cif
100073	2014-02-04	cif/ Adding structures of 4334256 via cif-deposit CGI script.	4334256.cif