Crystallography Open Database

Information card for entry 7047986

Preview

Coordinates	7047986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Br Cu N6 O3
Calculated formula	C24 H18 Br Cu N6 O3
Title of publication	Cu(i) coordination polymers (CPs) as tandem catalysts for three-component sequential click/alkynylation cycloaddition reaction with regiocontrol.
Authors of publication	Guo, Xiaoqing; Huang, Chao; Yang, Haiyan; Shao, Zhichao; Gao, Kuan; Qin, Na; Li, Gaoxiang; Wu, Jie; Hou, Hongwei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	47
Pages of publication	16895 - 16901
a	31.938 ± 0.006 Å
b	7.7414 ± 0.0015 Å
c	20.506 ± 0.004 Å
α	90°
β	120 ± 0.03°
γ	90°
Cell volume	4391 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
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	0.0633
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
229683 (current)	2019-11-17	cif/ Updating files of 7047985, 7047986 Original log message: Adding full bibliography for 7047985--7047986.cif.	7047986.cif
211818	2018-11-07	cif/ Adding structures of 7047985, 7047986 via cif-deposit CGI script.	7047986.cif