Crystallography Open Database

Information card for entry 1573739

Preview

Coordinates	1573739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H48 Cl5 Cu6 F3 N4 O2 S8
Calculated formula	C40 H43 Cu6 F3 N4 O2 S8
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
Journal volume	16
Journal issue	6
Pages of publication	2600 - 2608
a	24.6205 ± 0.0009 Å
b	17.0084 ± 0.0007 Å
c	22.4482 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	9400.3 ± 0.6 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	8
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
298129 (current)	2025-03-04	cif/ Updating files of 1573735, 1573736, 1573737, 1573738, 1573739, 1573740, 1573741 Original log message: Adding full bibliography for 1573735--1573741.cif.	1573739.cif
297424	2025-01-23	cif/ Adding structures of 1573735, 1573736, 1573737, 1573738, 1573739, 1573740, 1573741 via cif-deposit CGI script.	1573739.cif