Crystallography Open Database

Information card for entry 7213959

Preview

Coordinates	7213959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 N7 O12 Zn2.5
Calculated formula	C24 H14 N7 O12 Zn2.5
Title of publication	A series of metal‒organic frameworks containing diverse secondary building units derived from a flexible triazine-based tetracarboxylic ligand
Authors of publication	Li, Jie; Sheng, Tianlu; Bai, Songyan; Hu, Shengmin; Wen, Yuehong; Fu, Ruibiao; Huang, Yihui; Xue, Zhenzhen; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	11
Pages of publication	2188
a	16.915 ± 0.005 Å
b	9.686 ± 0.003 Å
c	17.4 ± 0.005 Å
α	90°
β	106.905 ± 0.004°
γ	90°
Cell volume	2727.6 ± 1.4 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2083
Weighted residual factors for all reflections included in the refinement	0.2169
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7213959.cif
105215	2014-03-11	cif/ Adding structures of 7213957, 7213958, 7213959, 7213960, 7213961 via cif-deposit CGI script.	7213959.cif