Crystallography Open Database

Information card for entry 7220005

7220004 << 7220005 >> 7220006

Preview

Coordinates	7220005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H4 K0 N0 O25 Zn4
Calculated formula	C20 H4 O25 Zn4
Title of publication	Two coordination polymers of benzene-1,2,4,5-tetracarboxylic acid (H4BTC): in situ ligand syntheses, structures, and luminescent properties
Authors of publication	Zhong, Di-Chang; Guo, Hua-Bin; Deng, Ji-Hua; Chen, Qing; Luo, Xu-Zhong
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	18
Pages of publication	3519
a	19.576 ± 0.006 Å
b	18.535 ± 0.006 Å
c	7.8377 ± 0.0016 Å
α	90°
β	94.15 ± 0.03°
γ	90°
Cell volume	2836.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.2214
Weighted residual factors for all reflections included in the refinement	0.2389
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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
180531 (current)	2016-03-26	cif/7/22/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/22/00.	7220005.cif
138502	2015-06-07	cif/ Updating files of 7220004, 7220005 Original log message: Adding full bibliography for 7220004--7220005.cif.	7220005.cif
134465	2015-03-28	cif/ Adding structures of 7220004, 7220005 via cif-deposit CGI script.	7220005.cif