Crystallography Open Database

Information card for entry 1554596

Preview

Coordinates	1554596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78.83 H76.5 F17.5 K0.83 N15.5 O11.5 S3.83 Sb Zn2
Calculated formula	C78.147 H76.5 F16.1913 K0.842 N15.5 O9.441 S3.147 Sb0.9608 Zn2
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	14.93 ± 0.002 Å
b	14.93 ± 0.002 Å
c	68.868 ± 0.014 Å
α	90°
β	90°
γ	120°
Cell volume	13294 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.1639
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	1554596.cif