Crystallography Open Database

Information card for entry 1554599

Preview

Coordinates	1554599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.5 H64.5 F19.5 N15.5 O4.5 S1.5 Sb2.5 Zn2
Calculated formula	C69.865 H63 F17.625 N15.495 O2.625 S0.875 Sb2.5 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	32.3977 ± 0.0013 Å
b	31.639 ± 0.0013 Å
c	22.0583 ± 0.0009 Å
α	90°
β	123.314 ± 0.002°
γ	90°
Cell volume	18894.9 ± 1.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1957
Weighted residual factors for all reflections included in the refinement	0.2177
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1554599.cif