Crystallography Open Database

Information card for entry 4340685

Preview

Coordinates	4340685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H70 Cd N4 O12 S2
Calculated formula	C69.999 H70 Cd N4 O12 S2
Title of publication	Cd(II)-MOF: Adsorption, Separation, and Guest-Dependent Luminescence for Monohalobenzenes.
Authors of publication	Wang, Lei; Li, Yan-An; Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	9087 - 9094
a	28.5077 ± 0.0012 Å
b	13.4136 ± 0.0004 Å
c	18.178 ± 0.0007 Å
α	90°
β	106.675 ± 0.004°
γ	90°
Cell volume	6658.8 ± 0.5 Å³
Cell temperature	105 ± 7 K
Ambient diffraction temperature	105 ± 7 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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