Crystallography Open Database

Information card for entry 1570893

Preview

Coordinates	1570893.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ni9(pMPT)18
Formula	C126 H126 Ni9 S18
Calculated formula	C126 H126 Ni9 S18
Title of publication	A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.
Authors of publication	Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	9
Pages of publication	4563 - 4570
a	28.916 ± 0.007 Å
b	28.916 ± 0.007 Å
c	69.42 ± 0.03 Å
α	90°
β	90°
γ	120°
Cell volume	50268 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1969
Weighted residual factors for all reflections included in the refinement	0.2151
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291008 (current)	2024-04-05	cif/ Updating files of 1570892, 1570893, 1570894, 1570895 Original log message: Adding full bibliography for 1570892--1570895.cif.	1570893.cif
289296	2024-02-03	cif/ Adding structures of 1570892, 1570893, 1570894, 1570895 via cif-deposit CGI script.	1570893.cif