Crystallography Open Database

Information card for entry 1558840

Preview

Coordinates	1558840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H74 Br6 N6 O14 Zn3
Calculated formula	C56 H74 Br6 N6 O14 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	16.3631 ± 0.0003 Å
b	13.1544 ± 0.0002 Å
c	30.779 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6625.08 ± 0.19 Å³
Cell temperature	100 ± 0.7 K
Ambient diffraction temperature	100 ± 0.7 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.1073
Weighted residual factors for significantly intense reflections	0.2277
Weighted residual factors for all reflections included in the refinement	0.2351
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
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.	1558840.cif
255278	2020-08-13	cif/ Adding structures of 1558835, 1558836, 1558837, 1558838, 1558839, 1558840 via cif-deposit CGI script.	1558840.cif