Crystallography Open Database

Information card for entry 7063718

Preview

Coordinates	7063718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H98 Cd3 N20 O12 S6
Calculated formula	C78 H42 Cd3 N12 O12 S6
Title of publication	Thiazolothiazole-based metal–organic frameworks for photocatalytic coupling of benzylamine and degradation of organic dyes
Authors of publication	Li, Jun-Fei; Xu, Jing-Wen; Feng, Hui-Jun; Liu, Qiao-Yun; Wang, Jun-Wen
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	16
Pages of publication	6838 - 6845
a	45.899 ± 0.006 Å
b	17.4621 ± 0.0017 Å
c	33.535 ± 0.004 Å
α	90°
β	132.477 ± 0.005°
γ	90°
Cell volume	19824 ± 4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 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	0.1503
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1851
Weighted residual factors for all reflections included in the refinement	0.2102
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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