Crystallography Open Database

Information card for entry 2232488

Preview

Coordinates	2232488.cif
Structure factors	2232488.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-benzoato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[aquabis(benzoato-κ^2^<i>O</i>,<i>O</i>')(dimethylformamide- κ<i>O</i>)europium(III)]
Formula	C48 H48 Eu2 N2 O16
Calculated formula	C48 H48 Eu2 N2 O16
SMILES	c1(ccccc1)C1=[O][Eu]234(O1)([O]=C(c1ccccc1)[O]2[Eu]125([O]3C(c3ccccc3)=[O]5)([O]=C(O1)c1ccccc1)([O]=C(O2)c1ccccc1)([OH2])[O]=CN(C)C)([O]=C(O4)c1ccccc1)([OH2])[O]=CN(C)C
Title of publication	Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aquabis(benzoato-κ^2^<i>O</i>,<i>O</i>')(dimethylformamide-κ<i>O</i>)europium(III)]
Authors of publication	Wang, Zhiliang; Zhou, Xianju
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	11
Pages of publication	m1579 - m1580
a	11.6395 ± 0.0002 Å
b	8.3692 ± 0.0001 Å
c	25.5235 ± 0.0004 Å
α	90°
β	101.46 ± 0.002°
γ	90°
Cell volume	2436.76 ± 0.07 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0489
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181246 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/24.	2232488.cif 2232488.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2232488.cif 2232488.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232488.cif 2232488.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.	2232488.cif 2232488.hkl
31968	2012-01-03	hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures.	2232488.cif 2232488.hkl
31156	2011-12-12	../uploads/cif-deposit/cod/cif Adding structures of 2232488 via cif-deposit CGI script.	2232488.cif