Crystallography Open Database

Information card for entry 1548380

Preview

Coordinates	1548380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H48 Ag5 F6 N17 O6 S2
Calculated formula	C58 H48 Ag5 F6 N17 O6 S2
Title of publication	Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.
Authors of publication	He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	6
Pages of publication	1481 - 1487
a	12.842 ± 0.006 Å
b	21.083 ± 0.005 Å
c	25.145 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6808 ± 4 Å³
Cell temperature	173.15 ± 0.1 K
Ambient diffraction temperature	173.15 ± 0.1 K
Number of distinct elements	7
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1871
Residual factor for significantly intense reflections	0.1818
Weighted residual factors for significantly intense reflections	0.3393
Weighted residual factors for all reflections included in the refinement	0.3422
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228733 (current)	2019-11-17	cif/ Updating files of 1548380, 1548381, 1548382, 1548383, 1548384, 1548385, 1548386 Original log message: Adding full bibliography for 1548380--1548386.cif.	1548380.cif
203957	2017-12-05	cif/ Adding structures of 1548380, 1548381, 1548382, 1548383, 1548384, 1548385, 1548386 via cif-deposit CGI script.	1548380.cif