Crystallography Open Database

Information card for entry 4087388

Preview

Coordinates	4087388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H80 F4 N2 P4 Pd2
Calculated formula	C51 H80 F4 N2 P4 Pd2
Title of publication	Generation of Mono- and Bimetallic Palladium Complexes and Mechanistic Insight into an Operative Metal Ring-Walking Process
Authors of publication	Orbach, Meital; Shankar, Sreejith; Zenkina, Olena V.; Milko, Petr; Diskin-Posner, Yael; van der Boom, Milko E.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	6
Pages of publication	1098
a	9.0332 ± 0.0003 Å
b	11.0003 ± 0.0004 Å
c	14.6167 ± 0.0005 Å
α	79.223 ± 0.002°
β	77.307 ± 0.002°
γ	75.198 ± 0.002°
Cell volume	1356.67 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0683
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236764 (current)	2019-11-24	cif/ Adding structures of 4087387, 4087388 via cif-deposit CGI script.	4087388.cif