Crystallography Open Database

Information card for entry 4074713

Preview

Coordinates	4074713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 F3 O3 P Pd S
Calculated formula	C28 H22 F3 O3 P Pd S
Title of publication	Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes
Authors of publication	Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	3
Pages of publication	571
a	10.3261 ± 0.0001 Å
b	11.2327 ± 0.0002 Å
c	23.9756 ± 0.0003 Å
α	80.607 ± 0.001°
β	87.53 ± 0.001°
γ	74.077 ± 0.001°
Cell volume	2638.37 ± 0.06 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 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	0.0567
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178636 (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 4/07/47.	4074713.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074713.cif
48703	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074713 via cif-deposit CGI script.	4074713.cif