Crystallography Open Database

Information card for entry 4071601

Preview

Coordinates	4071601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H29 As2 B F9 N Pd
Calculated formula	C34 H29 As2 B F9 N Pd
SMILES	[As](C)(c1ccccc1)(c1ccccc1)[Pd]([As](C)(c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)[N]#CC.[B](F)(F)(F)[F-]
Title of publication	Palladium Catalysts for Norbornene Polymerization. A Study by NMR and Calorimetric Methods
Authors of publication	Casares, Juan A.; Espinet, Pablo; Salas, Gorka
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3761
a	10.91 ± 0.008 Å
b	11.633 ± 0.009 Å
c	16.125 ± 0.012 Å
α	98.501 ± 0.013°
β	97.285 ± 0.013°
γ	116.804 ± 0.012°
Cell volume	1763 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178605 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/16.	4071601.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071601.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071601.cif
43940	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071601 via cif-deposit CGI script.	4071601.cif