Crystallography Open Database

Information card for entry 7020931

7020930 << 7020931 >> 7020932

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Coordinates	7020931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H9.6 Cu O5.8
Calculated formula	C10 H8 Cu O5
Title of publication	Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands
Authors of publication	Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin
Journal of publication	Dalton Transactions
Year of publication	2013
Journal volume	42
Journal issue	10
Pages of publication	3455
a	21.7696 ± 0.0013 Å
b	21.7696 ± 0.0013 Å
c	8.7212 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	3579.4 ± 0.4 Å³
Cell temperature	122.3 ± 0.2 K
Ambient diffraction temperature	122.3 ± 0.2 K
Number of distinct elements	4
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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