Crystallography Open Database

Information card for entry 7216230

Preview

Coordinates	7216230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 N12 O17 Zn2
Calculated formula	C54 H38 N12 O17 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	14.6517 ± 0.0016 Å
b	7.8277 ± 0.0008 Å
c	22.551 ± 0.002 Å
α	90°
β	90.01 ± 0.02°
γ	90°
Cell volume	2586.4 ± 0.4 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	0.0512
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
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.	7216230.cif
121634	2014-08-08	cif/ Updating files of 7216228, 7216229, 7216230, 7216231 Original log message: Adding full bibliography for 7216228--7216231.cif.	7216230.cif
114948	2014-05-31	cif/ Adding structures of 7216228, 7216229, 7216230, 7216231 via cif-deposit CGI script.	7216230.cif