Crystallography Open Database

Information card for entry 7216074

Preview

Coordinates	7216074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cd N2 O6
Calculated formula	C20 H18 Cd N2 O6
Title of publication	Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid
Authors of publication	Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	92
Pages of publication	569
a	8.973 ± 0.002 Å
b	13.598 ± 0.003 Å
c	15.883 ± 0.004 Å
α	90°
β	95.179 ± 0.004°
γ	90°
Cell volume	1930.1 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.038
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
180491 (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 7/21/60.	7216074.cif
114333	2014-05-23	cif/ Adding structures of 7216074, 7216075, 7216076, 7216077 via cif-deposit CGI script.	7216074.cif