Crystallography Open Database

Information card for entry 7060709

Preview

Coordinates	7060709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68.71 H75.43 Br2 Cu4 N4 O14
Calculated formula	C68.712 H75.424 Br2 Cu4 N4 O14
Title of publication	Modulating the ferroelectric performance by altering halogen anions in the crystals of tetranuclear copper-clusters
Authors of publication	Liu, Meiying; Liang, Jingjing; Liu, Zhiliang
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	27
Pages of publication	12091 - 12096
a	10.2904 ± 0.0005 Å
b	21.3262 ± 0.0009 Å
c	15.8441 ± 0.0007 Å
α	90°
β	93.987 ± 0.002°
γ	90°
Cell volume	3468.7 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.01 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
268851 (current)	2021-09-06	cif/ Updating files of 7060709, 7060710 Original log message: Adding full bibliography for 7060709--7060710.cif.	7060709.cif
266250	2021-06-08	cif/ Adding structures of 7060709, 7060710 via cif-deposit CGI script.	7060709.cif