Crystallography Open Database

Information card for entry 7134711

Preview

Coordinates	7134711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 Cu4 N2 O4 P4 S2
Calculated formula	C64 H54 Cu4 N2 O4 P4 S2
Title of publication	Mechanochromic Luminescence in Copper Nanoclusters: Resolving Structural Transitions through Microcrystal Electron Diffraction
Authors of publication	Nagar, Harshita; Duary, Subrata; Yadav, Vivek; Kini, Amoghavarsha Ramachandra; Antharjanam, Sudhadevi; Base, Tomas; Som, Anirban; Nannenga, Brent Lane; Pradeep, T.
Journal of publication	Chemical Communications
Year of publication	2025
a	18.91 ± 0.004 Å
b	21.16 ± 0.004 Å
c	14.44 ± 0.003 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	5778 ± 2 Å³
Cell temperature	77 ± 2 K
Ambient diffraction temperature	77 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1587
Residual factor for significantly intense reflections	0.1372
Weighted residual factors for significantly intense reflections	0.3296
Weighted residual factors for all reflections included in the refinement	0.3492
Goodness-of-fit parameter for all reflections included in the refinement	0.866
Diffraction radiation wavelength	0.0197 Å
Diffraction radiation type	300KeVelectron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300052 (current)	2025-06-12	cif/ Adding structures of 7134711, 7134712, 7134713, 7134714 via cif-deposit CGI script.	7134711.cif