Crystallography Open Database

Information card for entry 2018304

2018303 << 2018304 >> 2018305

Preview

Coordinates	2018304.cif
Structure factors	2018304.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	poly[[μ~2~-2-(2,2'-bi-1<i>H</i>-imidazoly-1-yl)acetato]cadmium]
Formula	C16 H14 Cd N8 O4
Calculated formula	C16 H14 Cd N8 O4
SMILES	[Cd]123([n]4c(c5[n]2cc[nH]5)n(cc4)CC(=O)O[Cd]2456([n]7c(n(CC(=O)O3)cc7)c3[n]4cc[nH]3)[n]3ccn(CC(=O)[O-])c3c3[n]2cc[nH]3)[n]2ccn(c2c2[n]1cc[nH]2)CC(=[O]1)O[Cd]2341([n]1c(c7[n]2cc[nH]7)n(cc1)CC(=O)O[Cd]12([n]7c(n(CC(=O)O3)cc7)c3[n]1cc[nH]3)[n]1ccn(CC(=[O]5)O6)c1c1[n]2cc[nH]1)[n]1ccn(c1c1[n]4cc[nH]1)CC(=O)[O-]
Title of publication	The coordination polymer poly[bis[μ~2~-2-(2,2'-bi-1<i>H</i>-imidazol-1-yl)acetato]cadmium]
Authors of publication	Tao, Jian-Qing; Wang, Jun; Xu, Xiao-Juan
Journal of publication	Acta Crystallographica Section C
Year of publication	2011
Journal volume	67
Journal issue	11
Pages of publication	m364 - m366
a	8.1262 ± 0.0014 Å
b	10.5663 ± 0.0019 Å
c	10.8076 ± 0.0019 Å
α	73.15 ± 0.003°
β	78.568 ± 0.003°
γ	83.055 ± 0.003°
Cell volume	868.5 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0367
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
180852 (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 2/01/83.	2018304.cif 2018304.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.	2018304.cif 2018304.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018304.cif 2018304.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.	2018304.cif 2018304.hkl
31968	2012-01-03	hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures.	2018304.cif 2018304.hkl
31174	2011-12-12	../uploads/cif-deposit/cod/cif Adding structures of 2018304 via cif-deposit CGI script.	2018304.cif