Crystallography Open Database

Information card for entry 7221150

Preview

Coordinates	7221150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N4 O5 Zn
Calculated formula	C16 H16 N4 O5 Zn
Title of publication	Pillared-bilayer zinc(ii)‒organic laminae: pore modification and selective gas adsorption
Authors of publication	Lee, Li-Wei; Luo, Tzuoo-Tsair; Lo, Sheng-Han; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	33
Pages of publication	6320
a	14.521 ± 0.003 Å
b	7.7378 ± 0.0015 Å
c	15.997 ± 0.003 Å
α	90°
β	106.4 ± 0.03°
γ	90°
Cell volume	1724.3 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0535
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221150.cif
171084	2015-12-09	cif/ Updating files of 7221150, 7221151, 7221152 Original log message: Adding full bibliography for 7221150--7221152.cif.	7221150.cif
141542	2015-07-10	cif/ Adding structures of 7221150, 7221151, 7221152 via cif-deposit CGI script.	7221150.cif