Crystallography Open Database

Information card for entry 7210593

Preview

Coordinates	7210593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cd F2 N10 O2
Calculated formula	C16 H10 Cd F2 N10 O2
Title of publication	From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties
Authors of publication	Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	40
Pages of publication	8180
a	10.6882 ± 0.0015 Å
b	10.6882 ± 0.0015 Å
c	16.036 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1831.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0229
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
180436 (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 7/21/05.	7210593.cif
88818	2013-10-09	cif/ Adding structures of 7210593, 7210594, 7210595, 7210596 via cif-deposit CGI script.	7210593.cif