Crystallography Open Database

Information card for entry 1566976

Preview

Coordinates	1566976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H175 As8 K3 N10 Nb O18 Zn4
Calculated formula	C101 H175 As8 K3 N10 Nb O18 Zn4
Title of publication	Synthesis and characterisation of the ternary intermetalloid clusters {M@[As<sub>8</sub>(ZnMes)<sub>4</sub>]}<sup>3-</sup> (M = Nb, Ta) from binary [M@As<sub>8</sub>]<sup>3-</sup> precursors.
Authors of publication	Zhang, Wei-Qiang; Morgan, Harry W. T.; McGrady, John E.; Sun, Zhong-Ming
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	22
Pages of publication	6744 - 6748
a	16.9909 ± 0.0002 Å
b	33.0617 ± 0.0004 Å
c	22.675 ± 0.0002 Å
α	90°
β	104.519 ± 0.001°
γ	90°
Cell volume	12330.9 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	8
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	0.0452
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
276600 (current)	2022-07-06	cif/ Updating files of 1566976, 1566977 Original log message: Adding full bibliography for 1566976--1566977.cif.	1566976.cif
275459	2022-05-17	cif/ Adding structures of 1566976, 1566977 via cif-deposit CGI script.	1566976.cif