Crystallography Open Database

Information card for entry 4323054

Preview

Coordinates	4323054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H160 Eu4 O20
Calculated formula	C97 H122 Eu4 O20
SMILES	[Eu]1234([O]5(=CC[O]1C)[Eu]167([O]2(CC[O]2C)[Eu]289([O]3(CC[O]2C)[Eu]253([O]18=CC[O]6C)(OCC[O]3C)Oc1c(cccc1C(C)C)C(C)C)([O](CCO9)C)Oc1c(cccc1C(C)C)C(C)C)(OCC[O]7C)Oc1c(cccc1C(C)C)C(C)C)(OCC[O]4C)Oc1c(cccc1C(C)C)C(C)C.c1(ccccc1)C.c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Utility of 2-Methoxyethanol in the Synthesis of Polyeuropium Complexes: {[Eu(OCH2CH2OMe)2(OC6H3R2-2,6)-][H+]}4 (R = Me,iPr) and [EuAl2(OCH2CH2OMe)3Me5]2
Authors of publication	William J. Evans; Michael A. Greci; Joseph W. Ziller
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	5221 - 5226
a	16.623 ± 0.002 Å
b	16.808 ± 0.002 Å
c	38.103 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	10646 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1559
Residual factor for significantly intense reflections	0.1043
Weighted residual factors for all reflections	0.3038
Weighted residual factors for significantly intense reflections	0.2624
Goodness-of-fit parameter for all reflections	1.083
Goodness-of-fit parameter for significantly intense reflections	1.154
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
179333 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/30.	4323054.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4323054.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323054.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323054.cif
22008	2011-06-30	../uploads/cif-deposit/cod/cif Adding structures of 4323054 via cif-deposit CGI script.	4323054.cif