Crystallography Open Database

Information card for entry 7216002

Preview

Coordinates	7216002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H57 Cl2 N5 O8 Zn2
Calculated formula	C66 H57 Cl2 N5 O8 Zn2
Title of publication	Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives
Authors of publication	Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	29
Pages of publication	6621
a	9.907 ± 0.002 Å
b	10.421 ± 0.002 Å
c	16.142 ± 0.003 Å
α	81.18 ± 0.03°
β	75.18 ± 0.03°
γ	81.78 ± 0.03°
Cell volume	1582.6 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180491 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60.	7216002.cif
119422	2014-07-07	cif/ Updating files of 7216001, 7216002, 7216003, 7216004, 7216005 Original log message: Adding full bibliography for 7216001--7216005.cif.	7216002.cif
113963	2014-05-19	cif/ Adding structures of 7216001, 7216002, 7216003, 7216004, 7216005 via cif-deposit CGI script.	7216002.cif