Crystallography Open Database

Information card for entry 1571069

Preview

Coordinates	1571069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H82 Fe2 K2 N6 O12 Pb9
Calculated formula	C46 H82 Fe2 K2 N6 O12 Pb9
Title of publication	Fe-Fe bonding in the rhombic Fe<sub>4</sub> cores of the Zintl clusters [Fe<sub>4</sub>E<sub>18</sub>]<sup>4-</sup> (E = Sn and Pb).
Authors of publication	Chen, Wei-Xing; Li, Zi-Sheng; Morgan, Harry W. T.; Shu, Cong-Cong; Sun, Zhong-Ming; McGrady, John E.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	13
Pages of publication	4981 - 4988
a	14.3298 ± 0.0001 Å
b	27.6726 ± 0.0002 Å
c	18.9178 ± 0.0002 Å
α	90°
β	110.718 ± 0.001°
γ	90°
Cell volume	7016.6 ± 0.11 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1603
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
290847 (current)	2024-04-05	cif/ Updating files of 1571069, 1571070, 1571071 Original log message: Adding full bibliography for 1571069--1571071.cif.	1571069.cif
289997	2024-02-29	cif/ Adding structures of 1571069, 1571070, 1571071 via cif-deposit CGI script.	1571069.cif