Crystallography Open Database

Information card for entry 1570840

Preview

Coordinates	1570840.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1D-DGIST-18
Formula	C30 H39 N O11 S5 Zn
Calculated formula	C30 H39 N O11 S5 Zn
Title of publication	Solvent-induced structural transformation in a one-dimensional coordination polymer.
Authors of publication	Jin, Kangwoo; Park, Nohyoon; Ahn, Yongdeok; Seo, Daeha; Moon, Dohyun; Sung, Jooyoung; Park, Jinhee
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	9
Pages of publication	4571 - 4577
a	12.558 ± 0.003 Å
b	16.386 ± 0.003 Å
c	18.212 ± 0.004 Å
α	90°
β	103.9 ± 0.03°
γ	90°
Cell volume	3637.8 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1668
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291006 (current)	2024-04-05	cif/ Updating files of 1570840, 1570841, 1570842 Original log message: Adding full bibliography for 1570840--1570842.cif.	1570840.cif
289224	2024-01-31	cif/ Adding structures of 1570840, 1570841, 1570842 via cif-deposit CGI script.	1570840.cif