Crystallography Open Database

Information card for entry 7020934

7020933 << 7020934 >> 7020935

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Coordinates	7020934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H37 Cl Cu2 N4 O13
Calculated formula	C40 H37 Cl Cu2 N4 O13
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	29.8354 ± 0.0013 Å
b	11.8641 ± 0.0005 Å
c	11.1225 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3937 ± 0.3 Å³
Cell temperature	122.3 ± 0.2 K
Ambient diffraction temperature	122.3 ± 0.2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1011
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1797
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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