Crystallography Open Database

Information card for entry 2235610

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Coordinates	2235610.cif
Structure factors	2235610.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrabromo- 2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]
Formula	C36 H27 Br8 Cu2 N4 O4
Calculated formula	C36 H27 Br8 Cu2 N4 O4
SMILES	[Cu]123Oc4c(Br)cc(Br)cc4C=[N]2CCCC[N]2[Cu]4(Oc5c(Br)cc(Br)cc5C=2)Oc2c(Br)cc(cc2C=[N]4CCCC[N]3=Cc2cc(Br)cc(c2O1)Br)Br
Title of publication	<i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrabromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]
Authors of publication	Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	7
Pages of publication	m1018 - m1019
a	27.41 ± 0.0011 Å
b	7.9055 ± 0.0004 Å
c	18.8291 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4080.1 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
181278 (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 2/23/56.	2235610.cif 2235610.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.	2235610.cif 2235610.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2235610.cif 2235610.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.	2235610.cif 2235610.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2235610.cif 2235610.hkl
64081	2012-08-11	cif/ Adding structures of 2235610 via cif-deposit CGI script.	2235610.cif