Crystallography Open Database

Information card for entry 4133673

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Coordinates	4133673.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HCOF-3
Formula	C34 H25 N12 S2
Calculated formula	C34 H25 N12 S2
Title of publication	Topochemical Synthesis of Single-Crystalline Hydrogen-Bonded Cross-Linked Organic Frameworks and Their Guest-Induced Elastic Expansion.
Authors of publication	Jiang, Xuanfeng; Cui, Xunzhe; Duncan, Andrew J. E.; Li, Liang; Hughes, Russell P.; Staples, Richard J.; Alexandrov, Eugeny V.; Proserpio, Davide M.; Wu, Yuyang; Ke, Chenfeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	27
Pages of publication	10915 - 10923
a	20.2514 ± 0.0002 Å
b	35.0504 ± 0.0002 Å
c	42.5407 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	30196.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1723
Residual factor for significantly intense reflections	0.1676
Weighted residual factors for significantly intense reflections	0.4469
Weighted residual factors for all reflections included in the refinement	0.4597
Goodness-of-fit parameter for all reflections included in the refinement	2.248
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.61992 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
243410 (current)	2019-11-26	cif/ Adding structures of 4133673 via cif-deposit CGI script.	4133673.cif