Crystallography Open Database

Information card for entry 1573173

Preview

Coordinates	1573173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C163 H113 Cu17 F54 N13 O2 P3 S24
Calculated formula	C162.998 H112.997 Cu17 F54 N12.9999 O1.9998 P3 S24
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	24.8645 ± 0.0011 Å
b	24.8645 ± 0.0011 Å
c	66.598 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	35658 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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.	1573173.cif
295924	2024-11-15	cif/ Adding structures of 1573171, 1573172, 1573173 via cif-deposit CGI script.	1573173.cif