Crystallography Open Database

Information card for entry 7210379

Preview

Coordinates	7210379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 Cd3 N4 O16
Calculated formula	C52 H40 Cd3 N4 O16
Title of publication	A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties
Authors of publication	Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	35
Pages of publication	6986
a	9.852 ± 0.0004 Å
b	12.241 ± 0.0005 Å
c	20.209 ± 0.0008 Å
α	90°
β	97.445 ± 0.004°
γ	90°
Cell volume	2416.63 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180434 (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 7/21/03.	7210379.cif
87609	2013-08-27	cif/ Adding structures of 7210375, 7210376, 7210377, 7210378, 7210379, 7210380, 7210381, 7210382, 7210383 via cif-deposit CGI script.	7210379.cif