Crystallography Open Database

Information card for entry 4074573

Preview

Coordinates	4074573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7 F23 O3 P2 Pt S
Calculated formula	C11 H6 F23 O3 P2 Pt S
SMILES	[Pt]([P](C)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)([P](C)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Title of publication	Adduct Studies and Reactivity oftrans-[(C2F5)2MeP]2Pt(Me)X (X = O2CCF3, OTF, OSO2F)
Authors of publication	Butikofer, Jeffrey L.; Parson, Thomas G.; Roddick, Dean M.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	26
Pages of publication	6108
a	9.94 ± 0.001 Å
b	11.8053 ± 0.0012 Å
c	21.397 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2510.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4074573.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074573.cif
48455	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074573 via cif-deposit CGI script.	4074573.cif