Crystallography Open Database

Information card for entry 1554595

Preview

Coordinates	1554595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160.5 H126.25 B3 F27 N29.25 Ni4 O15.25 S5
Calculated formula	C160.5 H126.25 B3 F27 N29.25 Ni4 O15.25 S5
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	34.257 ± 0.007 Å
b	18.552 ± 0.004 Å
c	54.149 ± 0.011 Å
α	90°
β	97.09 ± 0.03°
γ	90°
Cell volume	34150 ± 12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.107
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.2556
Weighted residual factors for all reflections included in the refinement	0.2765
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	1554595.cif