Crystallography Open Database

Information card for entry 7216229

Preview

Coordinates	7216229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 N7 O15 S Zn2
Calculated formula	C23 H31 N7 O15 S Zn2
Title of publication	Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties
Authors of publication	Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	32
Pages of publication	7536
a	7.999 ± 0.01 Å
b	11.703 ± 0.005 Å
c	17.386 ± 0.002 Å
α	104.387 ± 0.002°
β	98.557 ± 0.002°
γ	96.306 ± 0.002°
Cell volume	1541 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0417
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180493 (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 7/21/62.	7216229.cif
121634	2014-08-08	cif/ Updating files of 7216228, 7216229, 7216230, 7216231 Original log message: Adding full bibliography for 7216228--7216231.cif.	7216229.cif
114948	2014-05-31	cif/ Adding structures of 7216228, 7216229, 7216230, 7216231 via cif-deposit CGI script.	7216229.cif