Crystallography Open Database

Information card for entry 7219513

7219512 << 7219513 >> 7219514

Preview

Coordinates	7219513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 Cd N O6
Calculated formula	C13 H11 Cd N O6
Title of publication	Guest-induced single-crystal-to-single-crystal transformations of a new 4-connected 3D cadmium(II) metal‒organic framework
Authors of publication	Li, Shi-Hui; Han, Min-Le; Liu, Guangzhen; Ma, Lufang; Wang, Liya
Journal of publication	RSC Adv.
Year of publication	2015
a	30.515 ± 0.005 Å
b	30.515 ± 0.005 Å
c	7.574 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	6108 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1265
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.2041
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
180526 (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 7/21/95.	7219513.cif
131240	2015-02-06	cif/ Adding structures of 7219513, 7219514 via cif-deposit CGI script.	7219513.cif