Crystallography Open Database

Information card for entry 4108180

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Coordinates	4108180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H66 Br8 Cu8 N6 O3
Calculated formula	C33 H66 Br8 Cu8 N6 O3
Title of publication	3D Framework Containing Cu4Br4 Cubane as Connecting Node with Strong Ferroelectricity
Authors of publication	Wen Zhang; Ren-Gen Xiong; Songping D. Huang
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	10468 - 10469
a	15.2582 ± 0.0018 Å
b	15.2582 ± 0.0018 Å
c	6.6579 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	1342.4 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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