Crystallography Open Database

Information card for entry 4340686

Preview

Coordinates	4340686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H62.5 Cd I1.5 N4 O10.5 S2
Calculated formula	C71 H62.5 Cd I1.5 N4 O10.5 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	28.561 ± 0.002 Å
b	13.4161 ± 0.0005 Å
c	18.0696 ± 0.0008 Å
α	90°
β	106.976 ± 0.004°
γ	90°
Cell volume	6622.2 ± 0.6 Å³
Cell temperature	99.93 ± 0.16 K
Ambient diffraction temperature	99.93 ± 0.16 K
Number of distinct elements	7
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	0.0723
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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