Crystallography Open Database

Information card for entry 1556853

Preview

Coordinates	1556853.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	EJAntraL/DCM+AgClO4/MeOH->Layer
Formula	C174 H186 Ag6 Cl6 N6 O30 S12
Calculated formula	C174 H186 Ag6 Cl6 N6 O30 S12
Title of publication	Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions.
Authors of publication	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Journal of publication	The Analyst
Year of publication	2020
Journal volume	145
Journal issue	5
Pages of publication	1667 - 1676
a	25.8366 ± 0.0002 Å
b	25.8366 ± 0.0002 Å
c	25.8366 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	17246.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.2838
Residual factor for significantly intense reflections	0.1332
Weighted residual factors for significantly intense reflections	0.3994
Weighted residual factors for all reflections included in the refinement	0.4934
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248793 (current)	2020-03-05	cif/ Updating files of 1556851, 1556852, 1556853, 1556854, 1556855, 1556856 Original log message: Adding full bibliography for 1556851--1556856.cif.	1556853.cif
246317	2019-12-31	cif/ Adding structures of 1556851, 1556852, 1556853, 1556854, 1556855, 1556856 via cif-deposit CGI script.	1556853.cif