Crystallography Open Database

Information card for entry 4072385

Preview

Coordinates	4072385.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	kjc0702
Formula	C35 H45 B F4 N2 O3 P Pd
Calculated formula	C35 H45 B F4 N2 O3 P Pd
Title of publication	Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity
Authors of publication	Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	24
Pages of publication	6507
a	17.938 ± 0.0002 Å
b	11.256 ± 0.0003 Å
c	18.367 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3708.48 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
178612 (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 4/07/23.	4072385.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072385.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072385.cif
44391	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072385 via cif-deposit CGI script.	4072385.cif