Crystallography Open Database

Information card for entry 1573904

Preview

Coordinates	1573904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H108 Au2 N4 O4
Calculated formula	C72 H108 Au2 N4 O4
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	12.7986 ± 0.0005 Å
b	15.2227 ± 0.0005 Å
c	18.1384 ± 0.0007 Å
α	90°
β	101.827 ± 0.001°
γ	90°
Cell volume	3458.9 ± 0.2 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
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	0.0318
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0477
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
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.	1573904.cif
297727	2025-02-14	cif/ Adding structures of 1573902, 1573903, 1573904, 1573905, 1573906, 1573907, 1573908, 1573909, 1573910 via cif-deposit CGI script.	1573904.cif