Crystallography Open Database

Information card for entry 7053227

Preview

Coordinates	7053227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H57 F6 P2 Pd Sb
Calculated formula	C25 H57 F6 P2 Pd Sb
Title of publication	Synthesis, structure and computational studies of a cationic T-shaped Pd-complex
Authors of publication	Walter, Marc D.; White, Peter S.; Brookhart, Maurice
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	4
Pages of publication	1128
a	14.5334 ± 0.0006 Å
b	14.2796 ± 0.0005 Å
c	15.2101 ± 0.0005 Å
α	90°
β	92.956 ± 0.003°
γ	90°
Cell volume	3152.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1785
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54185 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180086 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32.	7053227.cif
90697	2013-11-18	cif/ Adding structures of 7053227 via cif-deposit CGI script.	7053227.cif