Crystallography Open Database

Information card for entry 4070821

Preview

Coordinates	4070821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H70 Ag F6 O6 P3 Pt2 S2
Calculated formula	C71 H70 Ag F6 O6 P3 Pt2 S2
Title of publication	Syn−AntiIsomerization by Intramolecular Alkene Rotation: Study of the Dynamics of the Bicyclo[2.2.1]hept-2-ene Ligands in a Diplatinum(I) Complex and Its Lewis Acid Adducts
Authors of publication	Wachtler, Helmuth; Schuh, Walter; Augner, Sven; Hägele, Gerhard; Wurst, Klaus; Peringer, Paul
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1797
a	11.194 ± 0.002 Å
b	23.488 ± 0.004 Å
c	26.19 ± 0.004 Å
α	90°
β	96.52 ± 0.02°
γ	90°
Cell volume	6841 ± 2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	8
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	0.0487
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178597 (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 4/07/08.	4070821.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070821.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070821.cif
42726	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070821 via cif-deposit CGI script.	4070821.cif