Crystallography Open Database

Information card for entry 7113068

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Coordinates	7113068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H5 Cu O5
Calculated formula	C10 H5 Cu O5
Title of publication	A NbO-type metal-organic framework derived from a polyyne-coupled di-isophthalate linker formed in situ.
Authors of publication	Zhao, Dan; Yuan, Daqiang; Yakovenko, Andrey; Zhou, Hong-Cai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	23
Pages of publication	4196 - 4198
a	18.2386 ± 0.0008 Å
b	18.2386 ± 0.0008 Å
c	42.049 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	12113.5 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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