Crystallography Open Database

Information card for entry 7219038

7219037 << 7219038 >> 7219039

Preview

Coordinates	7219038.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PCN-518
Formula	C224 H128 Cd12 O64 Si8
Calculated formula	C224 H128 Cd12 O64 Si8
Title of publication	Pore-controlled formation of 0D metal complexes in anionic 3D metal‒organic frameworks
Authors of publication	Zhang, Muwei; Bosch, Mathieu; Zhou, Hong-Cai
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	5
Pages of publication	996
a	26.567 ± 0.005 Å
b	14.332 ± 0.003 Å
c	25.354 ± 0.007 Å
α	90°
β	119.2 ± 0.002°
γ	90°
Cell volume	8427 ± 3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0304
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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
180521 (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 7/21/90.	7219038.cif
133214	2015-03-06	cif/ Updating files of 7219037, 7219038, 7219198, 7219199 Original log message: Adding full bibliography for 7219037--7219199.cif.	7219038.cif
128495	2014-12-10	cif/ Adding structures of 7219037, 7219038 via cif-deposit CGI script.	7219038.cif