Crystallography Open Database

Information card for entry 7045147

Preview

Coordinates	7045147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Mg N2 O16 S2
Calculated formula	C18 H24 Mg N2 O16 S2
Title of publication	Coordination-driven fast self-assembly of a charge-transfer hydrogel with reversible photochromism.
Authors of publication	Liao, Jian-Zhen; Wang, Sa-Sa; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong; Chen, Xu-Lin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	4
Pages of publication	1027 - 1031
a	8.1898 ± 0.0005 Å
b	8.9388 ± 0.0006 Å
c	16.7878 ± 0.001 Å
α	87.381 ± 0.005°
β	80.708 ± 0.005°
γ	83.888 ± 0.005°
Cell volume	1205.45 ± 0.13 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229523 (current)	2019-11-17	cif/ Updating files of 7045147, 7045148 Original log message: Adding full bibliography for 7045147--7045148.cif.	7045147.cif
204507	2017-12-23	cif/ Adding structures of 7045147, 7045148 via cif-deposit CGI script.	7045147.cif