Crystallography Open Database

Information card for entry 4072728

Preview

Coordinates	4072728.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C54.5 H38 Cl3 F10 P2 Pt2
Calculated formula	C54.5 H38 Cl3 F10 P2 Pt2
Title of publication	Rearrangement or C−H Activation Processes Promoted by Reaction with the Solvate [cis-Pt(C6F5)2(thf)2]
Authors of publication	Berenguer, Jesús R.; Bernechea, María; Lalinde, Elena
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	5
Pages of publication	1161
a	17.376 ± 0.0002 Å
b	24.139 ± 0.0002 Å
c	25.194 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	10567.3 ± 0.17 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072728.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072728.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072728.cif
45970	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072724, 4072725, 4072726, 4072727, 4072728, 4072729, 4072730 via cif-deposit CGI script.	4072728.cif