Crystallography Open Database

Information card for entry 4075535

Preview

Coordinates	4075535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H30 F3 O3 P Pd S
Calculated formula	C14 H30 F3 O3 P Pd S
SMILES	[Pd](C)([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)OS(=O)(=O)C(F)(F)F
Title of publication	Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes: Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene
Authors of publication	Yamashita, Makoto; Takamiya, Ikuko; Jin, Koichiro; Nozaki, Kyoko
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4588
a	8.0898 ± 0.001 Å
b	16.728 ± 0.0013 Å
c	14.8439 ± 0.0018 Å
α	90 ± 0.0013°
β	104.996 ± 0.0015°
γ	90 ± 0.0013°
Cell volume	1940.4 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178644 (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 4/07/55.	4075535.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075535.cif
49299	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075533, 4075534, 4075535, 4075536 via cif-deposit CGI script.	4075535.cif