Crystallography Open Database

Information card for entry 4517543

Preview

Coordinates	4517543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 F6 N O2 P2 Pd Sb
Calculated formula	C48 H46 F6 N O2 P2 Pd Sb
Title of publication	Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.
Authors of publication	Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	15
Pages of publication	8912 - 8918
a	12.1515 ± 0.0006 Å
b	12.242 ± 0.0007 Å
c	16.8588 ± 0.0005 Å
α	86.933 ± 0.004°
β	70.832 ± 0.004°
γ	68.328 ± 0.004°
Cell volume	2194.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251431 (current)	2020-05-04	cif/ Updating files of 4517542, 4517543, 4517544 Original log message: Adding full bibliography for 4517542--4517544.cif.	4517543.cif
249971	2020-04-03	cif/ Adding structures of 4517543 via cif-deposit CGI script.	4517543.cif