Crystallography Open Database

Information card for entry 7218875

Preview

Coordinates	7218875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H70 Gd2 N2 O14
Calculated formula	C67 H70 Gd2 N2 O14
Title of publication	Highly thermostable lanthanide metal-organic frameworks exhibiting unique selectivity for nitro explosives
Authors of publication	Zhao, Shuna; Song, Xuezhi; Zhu, Min; Meng, Xing; Wu, Lanlan; Song, Shuyan; Wang, Cheng; Zhang, Hongjie
Journal of publication	RSC Adv.
Year of publication	2014
a	23.321 ± 0.005 Å
b	15.408 ± 0.004 Å
c	18.286 ± 0.004 Å
α	90°
β	98.309 ± 0.004°
γ	90°
Cell volume	6502 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0522
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
180519 (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 7/21/88.	7218875.cif
127808	2014-11-22	cif/ Adding structures of 7218875 via cif-deposit CGI script.	7218875.cif