Crystallography Open Database

Information card for entry 4515750

Preview

Coordinates	4515750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 Cl F6 Ir N P Sb
Calculated formula	C26 H29 Cl F6 Ir N P Sb
SMILES	[IrH]1234(Cl)([P](c5[n+](C1)cccc5)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[Sb](F)(F)(F)(F)([F-])F
Title of publication	N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
Authors of publication	Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	11
Pages of publication	10457
a	11.9033 ± 0.0009 Å
b	8.2433 ± 0.0007 Å
c	28.535 ± 0.002 Å
α	90°
β	99.672 ± 0.003°
γ	90°
Cell volume	2760.1 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	8
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	0.0573
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
225875 (current)	2019-11-10	cif/ Adding structures of 4515750 via cif-deposit CGI script.	4515750.cif