Crystallography Open Database

Information card for entry 4070144

Preview

Coordinates	4070144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.8 H59.6 Br N2 O0.7 P3 Pd
Calculated formula	C58.8 H59.6 Br N2 O0.7 P3 Pd
Title of publication	A Cation-Captured Palladium(0) Anion: Synthesis, Structure, and Bonding of [PdBr(PPh3)2]−Ligated by an N-Heterocyclic Phosphenium Cation
Authors of publication	Caputo, Christine A.; Brazeau, Allison L.; Hynes, Zachery; Price, Jacquelyn T.; Tuononen, Heikki M.; Jones, Nathan D.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5261
a	34.23 ± 0.007 Å
b	17.143 ± 0.003 Å
c	24.015 ± 0.005 Å
α	90°
β	129.64 ± 0.03°
γ	90°
Cell volume	10852 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.138
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.202
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4070144.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070144.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070144.cif
40612	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070144 via cif-deposit CGI script.	4070144.cif