Crystallography Open Database

Information card for entry 1572672

Preview

Coordinates	1572672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C452 H344 Cu8 P16
Calculated formula	C440 H320 Cu8 P16
Title of publication	Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.
Authors of publication	Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	42
Pages of publication	17481 - 17489
a	13.6127 ± 0.0007 Å
b	24.0012 ± 0.001 Å
c	26.5094 ± 0.0014 Å
α	90°
β	90.423 ± 0.002°
γ	90°
Cell volume	8660.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
296386 (current)	2024-12-06	cif/ Updating files of 1572662, 1572663, 1572664, 1572665, 1572666, 1572667, 1572668, 1572669, 1572670, 1572671, 1572672 Original log message: Adding full bibliography for 1572662--1572672.cif.	1572672.cif
294856	2024-09-24	cif/ Adding structures of 1572662, 1572663, 1572664, 1572665, 1572666, 1572667, 1572668, 1572669, 1572670, 1572671, 1572672 via cif-deposit CGI script.	1572672.cif