Crystallography Open Database

Information card for entry 1572695

Preview

Coordinates	1572695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H88 Cu8 N24 O36
Calculated formula	C80 H88 Cu8 N24 O36
Title of publication	Copper cluster complex-catalyzed C–S bond formation
Authors of publication	Chang Liao, Nien-Chi; Basha, R. Sidick; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	22
Pages of publication	6609 - 6620
a	23.249 ± 0.004 Å
b	24.663 ± 0.004 Å
c	19.015 ± 0.003 Å
α	90°
β	114.638 ± 0.003°
γ	90°
Cell volume	9910 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.159
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.2546
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
296255 (current)	2024-12-06	cif/ Updating files of 1572694, 1572695, 1572696 Original log message: Adding full bibliography for 1572694--1572696.cif.	1572695.cif
294896	2024-09-27	cif/ Adding structures of 1572694, 1572695, 1572696 via cif-deposit CGI script.	1572695.cif