Crystallography Open Database

Information card for entry 1573736

Preview

Coordinates	1573736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H178.5 Cu6 N18.5 O10.5 S4
Calculated formula	C82 H84 Cu6 N8 S4
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	30.937 ± 0.0004 Å
b	30.937 ± 0.0004 Å
c	30.937 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	29609.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.2063
Residual factor for significantly intense reflections	0.1048
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.243
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1573736.cif