Crystallography Open Database

Information card for entry 1573741

Preview

Coordinates	1573741.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	n/a
Formula	C2.8 H3.28 Cl0.16 Cu0.4 F0.48 N0.16 O0.32 S0.4
Calculated formula	C2.72 H3.12 Cu0.4 F0.48 N0.16 O0.32 S0.4
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	20.5359 ± 0.001 Å
b	15.906 ± 0.0008 Å
c	18.1932 ± 0.001 Å
α	90°
β	102.802 ± 0.002°
γ	90°
Cell volume	5795 ± 0.5 Å³
Cell temperature	90.15 K
Ambient diffraction temperature	90.15 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	1573741.cif
297424	2025-01-23	cif/ Adding structures of 1573735, 1573736, 1573737, 1573738, 1573739, 1573740, 1573741 via cif-deposit CGI script.	1573741.cif