Crystallography Open Database

Information card for entry 1558839

Preview

Coordinates	1558839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 Br6 N8 O6 Zn3
Calculated formula	C44 H48 Br6 N8 O6 Zn3
Title of publication	Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition
Authors of publication	Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	36
Pages of publication	9818 - 9826
a	15.4998 ± 0.0006 Å
b	25.3392 ± 0.0011 Å
c	27.2058 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10685.1 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1292
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257401 (current)	2020-10-06	cif/ Updating files of 1558835, 1558836, 1558837, 1558838, 1558839, 1558840 Original log message: Adding full bibliography for 1558835--1558840.cif.	1558839.cif
255278	2020-08-13	cif/ Adding structures of 1558835, 1558836, 1558837, 1558838, 1558839, 1558840 via cif-deposit CGI script.	1558839.cif