Crystallography Open Database

Information card for entry 1553678

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Coordinates	1553678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Cu2 I2 N4 O S3
Calculated formula	C30 H34 Cu2 I2 N4 O S3
Title of publication	A flexible thioether-based MOF as a crystalline sponge for structural characterization of liquid organic molecules
Authors of publication	Yang, Xin-Yu; Yuan, Shuai; Qin, Jun-Sheng; Lollar, Christina; Alsalme, Ali; Zhou, Hong-Cai
Journal of publication	Materials Chemistry Frontiers
Year of publication	2017
Journal volume	1
Journal issue	9
Pages of publication	1764
a	9.174 ± 0.006 Å
b	14.442 ± 0.01 Å
c	17.023 ± 0.011 Å
α	113.404 ± 0.008°
β	90.013 ± 0.008°
γ	99.203 ± 0.008°
Cell volume	2038 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1914
Weighted residual factors for all reflections included in the refinement	0.2156
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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