Crystallography Open Database

Information card for entry 4075854

Preview

Coordinates	4075854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 F15 N Pd
Calculated formula	C36 H40 F15 N Pd
SMILES	[Pd]1(c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)[CH2]=[CH2]1.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	All-Organometallic Analogues of Zeise's Salt for the Three Group 10 Metals
Authors of publication	Forniés, Juan; Martín, Antonio; Martín, L. Francisco; Menjón, Babil; Tsipis, Athanassios
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3539
a	9.7965 ± 0.0007 Å
b	18.9469 ± 0.0013 Å
c	21.085 ± 0.0014 Å
α	68.782 ± 0.001°
β	86.598 ± 0.001°
γ	89.305 ± 0.001°
Cell volume	3641.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178647 (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 4/07/58.	4075854.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075854.cif
50703	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075854 via cif-deposit CGI script.	4075854.cif