Crystallography Open Database

Information card for entry 1573902

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Coordinates	1573902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 Au2 N4
Calculated formula	C56 H72 Au2 N4
SMILES	C1(N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C)=[Au]C#C[Au]=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C
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	9.3309 ± 0.0004 Å
b	12.6622 ± 0.0005 Å
c	14.2997 ± 0.0006 Å
α	72.396 ± 0.001°
β	72.255 ± 0.001°
γ	82.124 ± 0.002°
Cell volume	1531.89 ± 0.11 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0477
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.	1573902.cif
297727	2025-02-14	cif/ Adding structures of 1573902, 1573903, 1573904, 1573905, 1573906, 1573907, 1573908, 1573909, 1573910 via cif-deposit CGI script.	1573902.cif