Crystallography Open Database

Information card for entry 7227060

Preview

Coordinates	7227060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H49 Cl Cu2 N18 O8
Calculated formula	C56 H48 Cl Cu2 N18 O6
Title of publication	Metal-responsive activation of C‒O and C‒C bonds of an aromatic vicinal diol in hydrothermal conditions: synthesis, structure, mechanism and magnetic properties
Authors of publication	Feng, S. S.; Zheng, J. F.; Lu, L. P.; Lu, H. G.; Gao, Z. Q.; Dong, Y. H.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	47
Pages of publication	9077
a	15.327 ± 0.003 Å
b	15.327 ± 0.003 Å
c	25.887 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6081 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.1662
Residual factor for significantly intense reflections	0.1543
Weighted residual factors for significantly intense reflections	0.3389
Weighted residual factors for all reflections included in the refinement	0.3501
Goodness-of-fit parameter for all reflections included in the refinement	1.678
Diffraction radiation wavelength	0.72 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190096 (current)	2017-01-09	cif/ Updating files of 7227055, 7227056, 7227057, 7227058, 7227059, 7227060 Original log message: Adding full bibliography for 7227055--7227060.cif.	7227060.cif
188364	2016-11-10	cif/ Adding structures of 7227055, 7227056, 7227057, 7227058, 7227059, 7227060 via cif-deposit CGI script.	7227060.cif