Crystallography Open Database

Information card for entry 1573735

Preview

Coordinates	1573735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H86 Cl2 Cu6 F9 N7 O7 S4
Calculated formula	C60 H68 Cl2 Cu6 F6 N5 O3 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
Journal volume	16
Journal issue	6
Pages of publication	2600 - 2608
a	36.1356 ± 0.0002 Å
b	16.4719 ± 0.0002 Å
c	28.0985 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	16724.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.1032
Weighted residual factors for significantly intense reflections	0.3038
Weighted residual factors for all reflections included in the refinement	0.3217
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1573735.cif
297424	2025-01-23	cif/ Adding structures of 1573735, 1573736, 1573737, 1573738, 1573739, 1573740, 1573741 via cif-deposit CGI script.	1573735.cif