Crystallography Open Database

Information card for entry 4084738

Preview

Coordinates	4084738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H49 Br4 Cl19.5 N6 Pd2
Calculated formula	C70 H50 Br4 Cl19.5 N6 Pd2
Title of publication	Phenylene- and Biphenylene-Bridged Bis-Imidazolylidenes of Palladium. Influence of the Presence of Pyrene Tags on the Catalytic Activity of the Complexes
Authors of publication	Ruiz-Botella, Sheila; Peris, Eduardo
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5509
a	13.8715 ± 0.0003 Å
b	13.9886 ± 0.0003 Å
c	14.2318 ± 0.0003 Å
α	64.449 ± 0.002°
β	61.369 ± 0.002°
γ	62.9117 ± 0.0019°
Cell volume	2076.21 ± 0.09 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 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	0.0999
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2536
Weighted residual factors for all reflections included in the refinement	0.2849
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4084738.cif
126807	2014-11-11	cif/ Adding structures of 4084738 via cif-deposit CGI script.	4084738.cif