Crystallography Open Database

Information card for entry 1554600

Preview

Coordinates	1554600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C543 H406 Co8 F48 N83.5 O53.75 S16 Zn6
Calculated formula	C538.8 H401.5 Co8 F35.4 N83.5 O41.15 S11.8 Zn6
Title of publication	Waterproof architectures through subcomponent self-assembly.
Authors of publication	Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.
Journal of publication	Chemical science
Year of publication	2019
Journal volume	10
Journal issue	7
Pages of publication	2006 - 2018
a	34.3 ± 0.005 Å
b	34.3 ± 0.005 Å
c	27.428 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	32269 ± 10 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.1019
Weighted residual factors for significantly intense reflections	0.3039
Weighted residual factors for all reflections included in the refinement	0.3215
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237408 (current)	2019-11-24	cif/ Adding structures of 1554594, 1554595, 1554596, 1554597, 1554598, 1554599, 1554600 via cif-deposit CGI script.	1554600.cif