Crystallography Open Database

Information card for entry 7216077

Preview

Coordinates	7216077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 Cd N2 O8
Calculated formula	C20 H14 Cd N2 O6.5
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	25.995 ± 0.005 Å
b	11.6819 ± 0.0013 Å
c	16.66 ± 0.003 Å
α	90°
β	125.584 ± 0.006°
γ	90°
Cell volume	4114.4 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0766
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1721
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	7216077.cif
114333	2014-05-23	cif/ Adding structures of 7216074, 7216075, 7216076, 7216077 via cif-deposit CGI script.	7216077.cif