Crystallography Open Database

Information card for entry 1573908

Preview

Coordinates	1573908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H51 Au N2 O4 Si
Calculated formula	C38 H51 Au N2 O4 Si
SMILES	[Au](=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)C(=C(\C(=O)OC)C#C[Si](C)(C)C)\C(=O)OC
Title of publication	Stepwise alkyne insertion in Au(i) acetylides: influence of the nuclearity.
Authors of publication	Cayuela-Castillo, Juan; Fernández-de-Córdova, Francisco J; See, Matthew S.; Fernández, Israel; Ríos, Pablo
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	11
Pages of publication	4684 - 4694
a	12.7366 ± 0.0005 Å
b	15.5654 ± 0.0006 Å
c	19.9574 ± 0.0007 Å
α	90°
β	92.718 ± 0.002°
γ	90°
Cell volume	3952.1 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0462
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
298809 (current)	2025-04-05	cif/ Updating files of 1573902, 1573903, 1573904, 1573905, 1573906, 1573907, 1573908, 1573909, 1573910 Original log message: Adding full bibliography for 1573902--1573910.cif.	1573908.cif
297727	2025-02-14	cif/ Adding structures of 1573902, 1573903, 1573904, 1573905, 1573906, 1573907, 1573908, 1573909, 1573910 via cif-deposit CGI script.	1573908.cif