Crystallography Open Database

Information card for entry 7213845

Preview

Coordinates	7213845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Cd2 N6 O17
Calculated formula	C22 H28 Cd2 N6 O17
Title of publication	A series of coordination polymers constructed by the semi-rigid bifunctional ligand 5-((1H-1,2,4-triazol-1-yl)methoxy) isophthalic acid: syntheses, structures and the role of solvents
Authors of publication	Yang, Yan; Yang, Jin; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	6
Pages of publication	1136
a	7.8508 ± 0.0005 Å
b	17.7308 ± 0.001 Å
c	10.7154 ± 0.0007 Å
α	90°
β	93.285 ± 0.006°
γ	90°
Cell volume	1489.14 ± 0.16 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7213845.html