Crystallography Open Database

Information card for entry 7209966

7209965 << 7209966 >> 7209967

Preview

Coordinates	7209966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cu N4 O3
Calculated formula	C12 H12 Cu N4 O3
Title of publication	Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking
Authors of publication	Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	28
Pages of publication	5598
a	9.5958 ± 0.0019 Å
b	10.99 ± 0.002 Å
c	12.258 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1292.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
180430 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/99.	7209966.cif
86886	2013-07-12	cif/ Adding structures of 7209964, 7209965, 7209966, 7209967, 7209968, 7209969 via cif-deposit CGI script.	7209966.cif