Crystallography Open Database

Information card for entry 4081127

Preview

Coordinates	4081127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H43 B Cl4 F4 N P3 Pd S2
Calculated formula	C52 H43 B Cl4 F4 N P3 Pd S2
Title of publication	Influence of the Ligand Backbone in Pincer Complexes: Indenediide-, Indolyl-, and Indenyl-Based SCS Palladium Complexes
Authors of publication	Lisena, Jérôme; Monot, Julien; Mallet-Ladeira, Sonia; Martin-Vaca, Blanca; Bourissou, Didier
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4301
a	9.1982 ± 0.0003 Å
b	30.8703 ± 0.0014 Å
c	18.8299 ± 0.0007 Å
α	90°
β	105.865 ± 0.002°
γ	90°
Cell volume	5143.1 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
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
178700 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/11.	4081127.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4081127.cif
88000	2013-08-27	cif/ Adding structures of 4081126, 4081127 via cif-deposit CGI script.	4081127.cif