Crystallography Open Database

Information card for entry 1548384

Preview

Coordinates	1548384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4
Calculated formula	C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4
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	13.189 ± 0.003 Å
b	13.561 ± 0.003 Å
c	28.427 ± 0.006 Å
α	103.51 ± 0.03°
β	90.23 ± 0.03°
γ	118.57 ± 0.03°
Cell volume	4302 ± 2 Å³
Cell temperature	173.15 ± 0.1 K
Ambient diffraction temperature	173.15 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.1949
Weighted residual factors for all reflections included in the refinement	0.2003
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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.	1548384.cif
203957	2017-12-05	cif/ Adding structures of 1548380, 1548381, 1548382, 1548383, 1548384, 1548385, 1548386 via cif-deposit CGI script.	1548384.cif