Crystallography Open Database

Information card for entry 7008206

Preview

Coordinates	7008206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Ce I2 N3
Calculated formula	C24 H28 Ce I2 N3
SMILES	[Ce]1234(I)(I)([n]5ccccc5)([n]5ccccc5)([n]5ccccc5)[c]5([cH]1[cH]2[cH]3[cH]45)C(C)(C)C
Title of publication	The distinct affinity of cyclopentadienyl ligands towards trivalent uranium over lanthanide ions. Evidence for cooperative ligation and back-bonding in the actinide complexes.
Authors of publication	Mehdoui, Thouraya; Berthet, Jean-Claude; Thuery, Pierre; Ephritikhine, Michel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	7
Pages of publication	1263 - 1272
a	8.4213 ± 0.0004 Å
b	8.8376 ± 0.0007 Å
c	19.0845 ± 0.0015 Å
α	102.444 ± 0.004°
β	93.809 ± 0.005°
γ	108.371 ± 0.004°
Cell volume	1302.39 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.044
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179786 (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 7/00/82.	7008206.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"	7008206.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008206.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008206.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	7008206.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008206.cif