Crystallography Open Database

Information card for entry 1568618

Preview

Coordinates	1568618.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	W(u-CF)(AuCl)(CO)2(Tp*)
Formula	C18 H22 Au B Cl F N6 O2 W
Calculated formula	C18 H22 Au B Cl F N6 O2 W
SMILES	[Au](Cl)C(=[W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(C#[O])C#[O])F
Title of publication	Fluorocarbyne complexes <i>via</i> electrophilic fluorination of carbido ligands.
Authors of publication	Manzano, Richard A.; Hill, Anthony F.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	14
Pages of publication	3776 - 3781
a	11.6629 ± 0.0009 Å
b	10.2338 ± 0.0005 Å
c	20.6113 ± 0.0012 Å
α	90°
β	105.744 ± 0.007°
γ	90°
Cell volume	2367.8 ± 0.3 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	9
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	0.0497
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
283172 (current)	2023-05-05	cif/ Updating files of 1568618, 1568619 Original log message: Adding full bibliography for 1568618--1568619.cif.	1568618.cif
281711	2023-03-08	cif/ Adding structures of 1568618, 1568619 via cif-deposit CGI script.	1568618.cif