Crystallography Open Database

Information card for entry 1570480

Preview

Coordinates	1570480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H144 Fe3 K4 N8 O24 Sn18
Calculated formula	C72 H144 Fe3 K4 N8 O24 Sn18
Title of publication	Snap-shots of cluster growth: structure and properties of a Zintl ion with an Fe<sub>3</sub> core, [Fe<sub>3</sub>Sn<sub>18</sub>]<sup>4</sup>.
Authors of publication	Li, Zi-Sheng; Chen, Wei-Xing; Morgan, Harry W. T.; Shu, Cong-Cong; McGrady, John E.; Sun, Zhong-Ming
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	3
Pages of publication	1018 - 1026
a	14.8596 ± 0.0003 Å
b	25.1992 ± 0.0004 Å
c	18.793 ± 0.0005 Å
α	90°
β	108.689 ± 0.003°
γ	90°
Cell volume	6666 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
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	0.0523
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
289426 (current)	2024-02-04	cif/ Updating files of 1570480 Original log message: Adding full bibliography for 1570480.cif.	1570480.cif
287946	2023-12-03	cif/ Adding structures of 1570480 via cif-deposit CGI script.	1570480.cif