Crystallography Open Database

Information card for entry 4068252

Preview

Coordinates	4068252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H78 Cl4 F6 O6 P6 Pt2 S2
Calculated formula	C94 H78 Cl4 F6 O6 P6 Pt2 S2
Title of publication	Regioselective Double Cycloplatination of 9,10-Bis(diphenylphosphino)anthracene
Authors of publication	Hu, Jian; Yip, John H. K.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	4
Pages of publication	1093
a	18.8456 ± 0.0008 Å
b	15.193 ± 0.0006 Å
c	31.3809 ± 0.0012 Å
α	90°
β	94.382 ± 0.001°
γ	90°
Cell volume	8958.8 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
178572 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/82.	4068252.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068252.cif
39602	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068252 via cif-deposit CGI script.	4068252.cif