Crystallography Open Database

Information card for entry 2228394

Preview

Coordinates	2228394.cif
Structure factors	2228394.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetra-μ-acetato-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>': <i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')europium(III)] bis(μ-acetato-κ^3^O,O':O')bis(μ-acetato-κ^2^O:O')
Formula	C36 H34 Eu2 N4 O12
Calculated formula	C36 H34 Eu2 N4 O12
SMILES	c1cc[n]2[Eu]34567([O]=C(O3)C)([n]3cccc8ccc1c2c38)[O]=C([O]4[Eu]123([n]4cccc8ccc9ccc[n]1c9c48)([O]=C([O]73)C)([O]=C(O2)C)([O]=C(O6)C)OC(=[O]5)C)C
Title of publication	Tetra-μ-acetato-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')europium(III)]
Authors of publication	Fan, Rui-Qing; Sun, Cun-Fa; Yang, Yu-Lin
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	12
Pages of publication	m1565
a	9.7249 ± 0.0019 Å
b	23.67 ± 0.005 Å
c	8.2984 ± 0.0017 Å
α	90°
β	90.32 ± 0.03°
γ	90°
Cell volume	1910.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181204 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83.	2228394.cif 2228394.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2228394.cif 2228394.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228394.cif 2228394.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2228394.cif 2228394.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228394.cif 2228394.hkl
11387	2011-02-15	hkl/: Adding Reflection data for the recently deposited IUCr-originating structures.	2228394.cif 2228394.hkl
5783	2011-01-06	../uploads/cif-deposit/cod/cif Adding structures of 2228392, 2228393, 2228394, 2228395, 2228396, 2228397, 2228398, 2228399, 2228400, 2228401 via cif-deposit CGI script.	2228394.cif