Crystallography Open Database

Information card for entry 4133675

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Coordinates	4133675.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	P6
Formula	C61 H58 N24 S2
Calculated formula	C61 H58 N24 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	19.9929 ± 0.0001 Å
b	34.6322 ± 0.0002 Å
c	42.3319 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	29310.5 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.176
Residual factor for significantly intense reflections	0.1708
Weighted residual factors for significantly intense reflections	0.482
Weighted residual factors for all reflections included in the refinement	0.4966
Goodness-of-fit parameter for all reflections included in the refinement	2.476
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
243412 (current)	2019-11-26	cif/ Adding structures of 4133675 via cif-deposit CGI script.	4133675.cif