Crystallography Open Database

Information card for entry 7206428

7206427 << 7206428 >> 7206429

Preview

Coordinates	7206428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H42 N6 O8 Zn
Calculated formula	C43 H42 N6 O8 Zn
Title of publication	Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene
Authors of publication	Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	17
Pages of publication	5313
a	14.7035 ± 0.0014 Å
b	17.1809 ± 0.0017 Å
c	16.0916 ± 0.0016 Å
α	90°
β	104.6 ± 0.001°
γ	90°
Cell volume	3933.8 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180395 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/64.	7206428.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206428.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206428.cif
27366	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7206427, 7206428, 7206429 via cif-deposit CGI script.	7206428.cif