Crystallography Open Database

Information card for entry 4503044

Preview

Coordinates	4503044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Cu N8 O4
Calculated formula	C6 H6 Cu N8 O4
Title of publication	pH-Dependent Cu(II) Coordination Polymers with Tetrazole-1-acetic Acid: Synthesis, Crystal Structures, EPR and Magnetic Properties
Authors of publication	Yu, Qing; Zhang, Xiuqing; Bian, Hedong; Liang, Hong; Zhao, Bin; Yan, Shiping; Liao, Daizheng
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	4
Pages of publication	1140
a	4.7999 ± 0.0007 Å
b	11.7936 ± 0.0016 Å
c	9.4857 ± 0.0013 Å
α	90°
β	103.665 ± 0.002°
γ	90°
Cell volume	521.77 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0275
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179561 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/30.	4503044.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503044.cif
41308	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503044 via cif-deposit CGI script.	4503044.cif