Crystallography Open Database

Information card for entry 2018450

2018449 << 2018450 >> 2018451

Preview

Coordinates	2018450.cif
Structure factors	2018450.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	poly[(dimethylamine-κ<i>N</i>)[μ~3~-(<i>E</i>)-2,6-dimethyl-4- styrylpyridine-3,5-dicarboxylato- κ^3^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^]zinc(II)]
Formula	C19 H20 N2 O4 Zn
Calculated formula	C19 H20 N2 O4 Zn
SMILES	[Zn]1([NH](C)C)OC(=O)c2c(C)nc(C)c(c2/C=C/c2ccccc2)C2=[O][Zn]([NH](C)C)(OC(=O)c3c(C)nc(C)c(C(=O)[O-])c3/C=C/c3ccccc3)OC(c3c(C)nc(C)c(C(=O)[O-])c3/C=C/c3ccccc3)=[O][Zn](O2)([NH](C)C)OC(=O)c2c(C)nc(C)c(c2/C=C/c2ccccc2)C(O1)=[O][Zn][NH](C)C
Title of publication	Distinct chiral units from an axially prochiral ligand in a photoluminescent zinc(II)‒organic complex
Authors of publication	Zhang, Ming-Xing; Chen, Xin; Huang, Kun-Lin; Zhu, Yi; Yang, Shan-Shan
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	m90 - m93
a	9.134 ± 0.002 Å
b	9.694 ± 0.002 Å
c	11.735 ± 0.003 Å
α	80.602 ± 0.004°
β	87.611 ± 0.004°
γ	66.518 ± 0.004°
Cell volume	939.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
180853 (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 2/01/84.	2018450.cif 2018450.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018450.cif 2018450.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018450.cif 2018450.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.	2018450.cif 2018450.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2018450.cif 2018450.hkl
55417	2012-05-05	cif/ Adding structures of 2018450 via cif-deposit CGI script.	2018450.cif