Crystallography Open Database

Information card for entry 7133024

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Coordinates	7133024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 Cd N0.5 O17.5 S4
Calculated formula	C38 H38 Cd O14 S4
Title of publication	Construction of a stable radical hydrogen-bonded metal-organic framework with functionalized tetrathiafulvalene linkers.
Authors of publication	Su, Jian; Han, Xiao; Ke, Si-Wen; Zhou, Xiao-Cheng; Yuan, Shuai; Ding, Mengning; Zuo, Jing-Lin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	45
Pages of publication	5812 - 5815
a	10.722 ± 0.003 Å
b	39.433 ± 0.011 Å
c	14.317 ± 0.004 Å
α	90°
β	97 ± 0.007°
γ	90°
Cell volume	6008 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1182
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1934
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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