Crystallography Open Database

Information card for entry 4334255

Preview

Coordinates	4334255.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Pr(CyMe4-BTPhen)2(NO3)](NO3)2.10H20
Formula	C68 H96 N19 O19 Pr
Calculated formula	C68 H76 N19 O19 Pr
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	31.654 ± 0.005 Å
b	26.271 ± 0.005 Å
c	19.501 ± 0.005 Å
α	90°
β	109.504 ± 0.005°
γ	90°
Cell volume	15286 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1071
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	0.864
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4334255.cif
100072	2014-02-04	cif/ Adding structures of 4334255 via cif-deposit CGI script.	4334255.cif