Crystallography Open Database

Information card for entry 2236507

Preview

Coordinates	2236507.cif
Structure factors	2236507.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^5^]
Formula	C23 H20 Cu N4 O6
Calculated formula	C23 H20 Cu N4 O6
SMILES	[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1oc(cc1)C(=O)[O-])OC(=O)c1oc(C(=O)O[Cu]2[n]3cccc4ccc5ccc[n]2c5c34)cc1.O=C1N(CCN1C)C.O=C1N(CCN1C)C
Title of publication	<i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]
Authors of publication	Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	9
Pages of publication	m1140
a	15.62 ± 0.003 Å
b	14.598 ± 0.003 Å
c	18.616 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4244.8 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
181287 (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 2/23/65.	2236507.cif 2236507.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.	2236507.cif 2236507.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2236507.cif 2236507.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.	2236507.cif 2236507.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2236507.cif 2236507.hkl
70083	2012-12-21	cif/ Adding structures of 2236507 via cif-deposit CGI script.	2236507.cif