Crystallography Open Database

Information card for entry 1573172

Preview

Coordinates	1573172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H172 Cl Cu16 F36 N12 O4 S25
Calculated formula	C184 H140 Cl Cu16 F36 N12 O4 S25
Title of publication	Analogous copper nanoclusters (Cu<sub>16/17</sub>) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters.
Authors of publication	Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K.
Journal of publication	Nanoscale
Year of publication	2025
Journal volume	17
Journal issue	2
Pages of publication	982 - 991
a	39.487 ± 0.009 Å
b	20.216 ± 0.003 Å
c	31.428 ± 0.005 Å
α	90°
β	113.044 ± 0.007°
γ	90°
Cell volume	23086 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2096
Residual factor for significantly intense reflections	0.1103
Weighted residual factors for significantly intense reflections	0.2912
Weighted residual factors for all reflections included in the refinement	0.3271
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
298973 (current)	2025-04-05	cif/ Updating files of 1573171, 1573172, 1573173 Original log message: Adding full bibliography for 1573171--1573173.cif.	1573172.cif
295924	2024-11-15	cif/ Adding structures of 1573171, 1573172, 1573173 via cif-deposit CGI script.	1573172.cif