Crystallography Open Database

Information card for entry 4074544

Preview

Coordinates	4074544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H43 B2 F8 N3 O0.5 P2 Pd
Calculated formula	C42.5 H42.5 B2 F8 N3 O0.5 P2 Pd
Title of publication	Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands
Authors of publication	Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	25
Pages of publication	5927
a	11.3796 ± 0.0003 Å
b	16.7644 ± 0.0005 Å
c	22.7228 ± 0.0007 Å
α	101.099 ± 0.002°
β	95.263 ± 0.002°
γ	93.406 ± 0.002°
Cell volume	4222.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4074544.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074544.cif
48441	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074544 via cif-deposit CGI script.	4074544.cif