Crystallography Open Database

Information card for entry 1573738

Preview

Coordinates	1573738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.21 H3.97 Cl0.49 Cu0.48 F0.57 N0.19 O0.38 S0.29
Calculated formula	C3.04762 H3.71429 Cu0.47619 F0.571429 N0.190476 O0.380952 S0.285714
Title of publication	Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations
Authors of publication	Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi
Journal of publication	Chemical Science
Year of publication	2025
a	13.4577 ± 0.0014 Å
b	13.9427 ± 0.0013 Å
c	13.9994 ± 0.0014 Å
α	82.041 ± 0.003°
β	82.058 ± 0.003°
γ	75.543 ± 0.003°
Cell volume	2504.4 ± 0.4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297424 (current)	2025-01-23	cif/ Adding structures of 1573735, 1573736, 1573737, 1573738, 1573739, 1573740, 1573741 via cif-deposit CGI script.	1573738.cif