Crystallography Open Database

Information card for entry 1573737

Preview

Coordinates	1573737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H99 Cu7 F9 N15 O15 S4
Calculated formula	C72 H81 Cu7 F6 N13 O11 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	40.186 ± 0.002 Å
b	17.9336 ± 0.001 Å
c	43.303 ± 0.002 Å
α	90°
β	108.171 ± 0.002°
γ	90°
Cell volume	29651 ± 3 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1198
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2368
Weighted residual factors for all reflections included in the refinement	0.2649
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
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.	1573737.cif
297424	2025-01-23	cif/ Adding structures of 1573735, 1573736, 1573737, 1573738, 1573739, 1573740, 1573741 via cif-deposit CGI script.	1573737.cif