Crystallography Open Database

Information card for entry 2017786

2017785 << 2017786 >> 2017787

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Structure parameters

Chemical name	<i>catena</i>-Poly[[(2,2'-diamino-4,4'-bithiazole){μ~3~-<i>cis</i>-<i>N</i>- (2-carboxylatophenyl)-<i>N</i>'-[3- (dimethylamino)propyl]oxamidato(3-)}dicopper(II)] nitrate 0.6-hydrate]
Formula	C20 H23.2 Cu2 N8 O7.6 S2
Calculated formula	C20 H23.2 Cu2 N8 O7.6 S2
Title of publication	<i>catena</i>-Poly[[(2,2'-diamino-4,4'-bithiazole){μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylatophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}dicopper(II)] nitrate 0.6-hydrate]
Authors of publication	Nie, Jin-Ju; Li, Yan-Tuan; Wu, Zhi-Yong; Li, Xiao-Wen; Yan, Cui-Wei
Journal of publication	Acta Crystallographica Section C
Year of publication	2010
Journal volume	66
Journal issue	11
Pages of publication	m323 - m326
a	12.6991 ± 0.0003 Å
b	14.0263 ± 0.0003 Å
c	15.03 ± 0.0003 Å
α	90°
β	107.103 ± 0.002°
γ	90°
Cell volume	2558.77 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0498
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
180846 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/77.	2017786.cif 2017786.hkl
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2017786.cif 2017786.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017786.cif 2017786.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.	2017786.cif 2017786.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017786.cif 2017786.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2017786.cif 2017786.hkl
4094	2010-12-16	../uploads/cif-deposit/cod/cif Adding structures of 2017786 via cif-deposit CGI script.	2017786.cif