Crystallography Open Database

Information card for entry 7211963

7211962 << 7211963 >> 7211964

Preview

Coordinates	7211963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cd I3 N3 O5
Calculated formula	C14 H12 Cd I3 N3 O5
Title of publication	1D zigzag chain vs. 1D helical chain: the role of the supramolecular interactions on the formation of chiral architecture
Authors of publication	Dai, Fangna; He, Haiyan; Zhao, Xiaoliang; Ke, Yanxiong; Zhang, Guoqing; Sun, Daofeng
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	2
Pages of publication	337
a	11.3689 ± 0.0003 Å
b	11.3689 ± 0.0003 Å
c	16.5658 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2141.16 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
180450 (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 7/21/19.	7211963.cif
92505	2014-01-12	cif/ Adding structures of 7211962, 7211963 via cif-deposit CGI script.	7211963.cif