Crystallography Open Database

Information card for entry 7047985

Preview

Coordinates	7047985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H36 Cu3 I3 N12 O6
Calculated formula	C48 H36 Cu3 I3 N12 O6
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	14.77 ± 0.003 Å
b	11.093 ± 0.002 Å
c	15.89 ± 0.003 Å
α	90°
β	108 ± 0.03°
γ	90°
Cell volume	2476.1 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.193
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7047985.cif
211818	2018-11-07	cif/ Adding structures of 7047985, 7047986 via cif-deposit CGI script.	7047985.cif