Crystallography Open Database

Information card for entry 1565051

Preview

Coordinates	1565051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H38 Au Cl I P
Calculated formula	C33 H38 Au Cl I P
SMILES	[Au](I)[P](Cc1cccc2c3c(Cl)cccc3c12)(C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3
Title of publication	Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides
Authors of publication	Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina
Journal of publication	Chemical Science
Year of publication	2021
a	32.0368 ± 0.0005 Å
b	9.95226 ± 0.00015 Å
c	19.0362 ± 0.0003 Å
α	90°
β	105.875 ± 0.0017°
γ	90°
Cell volume	5838 ± 0.16 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0208
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0364
Weighted residual factors for all reflections included in the refinement	0.0373
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
270106 (current)	2021-10-29	cif/ Adding structures of 1565048, 1565049, 1565050, 1565051, 1565052, 1565053, 1565054, 1565055 via cif-deposit CGI script.	1565051.cif