Crystallography Open Database

Information card for entry 4118345

Preview

Coordinates	4118345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H24 Cl2 N6 O4 Pd2
Calculated formula	C37 H24 Cl2 N6 O4 Pd2
Title of publication	Connecting Binuclear Pd(III) and Mononuclear Pd(IV) Chemistry by Pd-Pd Bond Cleavage
Authors of publication	David C. Powers; Eunsung Lee; Alireza Ariafard; Melanie S. Sanford; Brian F. Yates; Allan J. Canty; Tobias Ritter
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12002 - 12009
a	9.4347 ± 0.0008 Å
b	12.5162 ± 0.0011 Å
c	16.0412 ± 0.0014 Å
α	75.497 ± 0.001°
β	78.327 ± 0.001°
γ	71.822 ± 0.001°
Cell volume	1726.4 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0513
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
178954 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/83.	4118345.cif
75870	2013-03-13	cif/ Adding structures of 4118345 via cif-deposit CGI script.	4118345.cif