Crystallography Open Database

Information card for entry 7060710

Preview

Coordinates	7060710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H76 Cl2 Cu4 N4 O14
Calculated formula	C70 H76 Cl2 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	10.4998 ± 0.0019 Å
b	25.108 ± 0.005 Å
c	15.766 ± 0.003 Å
α	90°
β	109.173 ± 0.005°
γ	90°
Cell volume	3925.8 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.1177
Residual factor for significantly intense reflections	0.1099
Weighted residual factors for significantly intense reflections	0.2856
Weighted residual factors for all reflections included in the refinement	0.2966
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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