Crystallography Open Database

Information card for entry 1554598

Preview

Coordinates	1554598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C531.5 H392.25 F48 N82.25 Ni8 O53.25 S16 Zn6
Calculated formula	C524.876 H388.726 F28.2 N82.25 Ni8 O33.45 S9.4 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	34.21 ± 0.005 Å
b	34.21 ± 0.005 Å
c	27.215 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	31850 ± 9 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	0.1394
Residual factor for significantly intense reflections	0.121
Weighted residual factors for significantly intense reflections	0.3372
Weighted residual factors for all reflections included in the refinement	0.3532
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	1554598.cif