Crystallography Open Database

Information card for entry 2238218

Preview

Coordinates	2238218.cif
Structure factors	2238218.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[bis(μ~3~-2-phenylacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)bis(μ~2~-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]
Formula	C32 H28 Cu2 O8
Calculated formula	C32 H28 Cu2 O8
SMILES	[Cu]12345[Cu]([O]=C(O4)Cc4ccccc4)(OC(=[O]2)Cc2ccccc2)(OC(=[O]1)Cc1ccccc1)[O]=C(Cc1ccccc1)[O]5[Cu]1245[Cu]([O]=C([O]31)Cc1ccccc1)([O]=C(O5)Cc1ccccc1)(OC(=[O]2)Cc1ccccc1)OC(=[O]4)Cc1ccccc1
Title of publication	<i>catena</i>-Poly[bis(μ~3~-2-phenylacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)bis(μ~2~-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]
Authors of publication	Benslimane, Meriem; Redjel, Yasmine Kheira; Merazig, Hocine; Daran, Jean-Claude
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	7
Pages of publication	m397
a	5.1829 ± 0.0006 Å
b	26.328 ± 0.004 Å
c	10.2279 ± 0.0013 Å
α	90°
β	97.892 ± 0.007°
γ	90°
Cell volume	1382.4 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
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	0.0929
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2497
Weighted residual factors for all reflections included in the refinement	0.2543
Goodness-of-fit parameter for all reflections included in the refinement	1.198
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
181304 (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 2/23/82.	2238218.cif 2238218.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.	2238218.cif 2238218.hkl
88055	2013-08-28	cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently.	2238218.cif 2238218.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2238218.cif 2238218.hkl
87471	2013-08-27	cif/ Adding structures of 2238218 via cif-deposit CGI script.	2238218.cif