Crystallography Open Database

Information card for entry 7712051

7712050 << 7712051 >> 7712052

Preview

Coordinates	7712051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H35 B Cl6 F7 Ni O P S
Calculated formula	C34 H35 B Cl6 F7 Ni O P S
SMILES	[Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S](C(C)(CC(=[O]1)C)C)C)c1ccccc1C(F)(F)F.ClC(Cl)Cl.F[B](F)(F)[F-].ClC(Cl)Cl
Title of publication	Multifaceted role of silver salts as ligand scavengers and different behavior of nickel and palladium complexes: beyond halide abstraction.
Authors of publication	Pérez-Ortega, Ignacio; Albéniz, Ana C
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	5
Pages of publication	1425 - 1432
a	16.7171 ± 0.0006 Å
b	14.3676 ± 0.0006 Å
c	37.0248 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	8892.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1476
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.2418
Weighted residual factors for all reflections included in the refinement	0.2851
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
283259 (current)	2023-05-05	cif/ Updating files of 7712049, 7712050, 7712051 Original log message: Adding full bibliography for 7712049--7712051.cif.	7712051.cif
280132	2023-01-06	cif/ Adding structures of 7712049, 7712050, 7712051 via cif-deposit CGI script.	7712051.cif