Crystallography Open Database

Information card for entry 1564900

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Coordinates	1564900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 Cu N2 O9 S4
Calculated formula	C39 H34 Cu N2 O9 S4
Title of publication	Coordination-Bond-Directed Synthesis of Hydrogen-bonded Organic Frameworks from Metal–Organic Frameworks as Templates
Authors of publication	Su, Jian; Yuan, Shuai; Cheng, Yi-Xun; Yang, Zhi-Mei; Zuo, Jing-Lin
Journal of publication	Chemical Science
Year of publication	2021
a	19.1651 ± 0.0009 Å
b	34.7043 ± 0.0016 Å
c	8.8821 ± 0.0004 Å
α	90°
β	97.583 ± 0.001°
γ	90°
Cell volume	5855.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0739
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2154
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	No
Has F_obs	No

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