Crystallography Open Database

Information card for entry 1571084

Preview

Coordinates	1571084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H80 Au2 B2 Cl F6 N O4 P2 S2
Calculated formula	C50 H80 Au2 B2 Cl F6 N O4 P2 S2
SMILES	c1(ccccc1B(C1CCCCC1)C1CCCCC1)[P](C(C)C)(C(C)C)[Au][Cl][Au][P](c1ccccc1B(C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F
Title of publication	Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.
Authors of publication	Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	14
Pages of publication	5187 - 5191
a	9.572 ± 0.0004 Å
b	39.2345 ± 0.0015 Å
c	15.7352 ± 0.0006 Å
α	90°
β	95.739 ± 0.002°
γ	90°
Cell volume	5879.8 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	10
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	0.0274
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291577 (current)	2024-05-05	cif/ Updating files of 1571083, 1571084, 1571085 Original log message: Adding full bibliography for 1571083--1571085.cif.	1571084.cif
290020	2024-03-02	cif/ Adding structures of 1571083, 1571084, 1571085 via cif-deposit CGI script.	1571084.cif