Crystallography Open Database

Information card for entry 7007407

Preview

Coordinates	7007407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H38 Cl3 N3 O4 U
Calculated formula	C43 H38 Cl3 N3 O4 U
SMILES	[U]123(Cl)(Cl)(Cl)[OH]c4c5Cc6c(O2)c(Cc2c(O1)c(Cc1c(O3)c(ccc1)Cc4ccc5)ccc2)ccc6.[nH+]1ccccc1.n1ccccc1.[nH+]1ccccc1
Title of publication	Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species.
Authors of publication	Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	30
Pages of publication	3629 - 3637
a	11.8531 ± 0.0002 Å
b	18.9402 ± 0.0004 Å
c	17.8786 ± 0.0005 Å
α	90°
β	101.044 ± 0.001°
γ	90°
Cell volume	3939.41 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0349
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
179778 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/74.	7007407.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7007407.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007407.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007407.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	7007407.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007407.cif