Crystallography Open Database

Information card for entry 1548346

Preview

Coordinates	1548346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H158 B8 F32 N40 O7 Zn4
Calculated formula	C204 H144 B8.02 F32.075 N40 O7 Zn4
Title of publication	Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.
Authors of publication	Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	4
Pages of publication	1050 - 1057
a	47.6161 ± 0.0017 Å
b	31.7486 ± 0.0011 Å
c	56.289 ± 0.002 Å
α	90°
β	111.305 ± 0.0016°
γ	90°
Cell volume	79279 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.3793
Residual factor for significantly intense reflections	0.0985
Weighted residual factors for significantly intense reflections	0.1935
Weighted residual factors for all reflections included in the refinement	0.2895
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228715 (current)	2019-11-17	cif/ Updating files of 1548346, 1548347 Original log message: Adding full bibliography for 1548346--1548347.cif.	1548346.cif
203848	2017-12-01	cif/ Adding structures of 1548346, 1548347 via cif-deposit CGI script.	1548346.cif