Crystallography Open Database

Information card for entry 7129741

Preview

Coordinates	7129741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Au B Cl P
Calculated formula	C24 H28 Au B Cl P
SMILES	[Au]1(Cl)[C]([B]1(CC)CC)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C
Title of publication	A neutral, acyclic, borataalkene-like ligand for group 11 metals: L- and Z-type ligands side by side.
Authors of publication	Krämer, Felix; Radius, Michael; Berberich, Helga; Fernández, Israel; Breher, Frank
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	58
Journal issue	24
Pages of publication	3905 - 3908
a	17.1732 ± 0.001 Å
b	13.6458 ± 0.0006 Å
c	19.7945 ± 0.0011 Å
α	90°
β	95.133 ± 0.005°
γ	90°
Cell volume	4620.1 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
274958 (current)	2022-05-05	cif/ Updating files of 7129741 Original log message: Adding full bibliography for 7129741.cif.	7129741.cif
273070	2022-02-22	cif/ Adding structures of 7129741 via cif-deposit CGI script.	7129741.cif