Crystallography Open Database

Information card for entry 1572694

Preview

Coordinates	1572694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Cu4 N14 O22
Calculated formula	C46 H62 Cu4 N14 O22
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	6.9906 ± 0.0003 Å
b	13.5843 ± 0.0008 Å
c	16.4969 ± 0.001 Å
α	111.425 ± 0.005°
β	91.674 ± 0.004°
γ	104.299 ± 0.004°
Cell volume	1400.71 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
296255 (current)	2024-12-06	cif/ Updating files of 1572694, 1572695, 1572696 Original log message: Adding full bibliography for 1572694--1572696.cif.	1572694.cif
294896	2024-09-27	cif/ Adding structures of 1572694, 1572695, 1572696 via cif-deposit CGI script.	1572694.cif