Crystallography Open Database

Information card for entry 4071780

Preview

Coordinates	4071780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 Cl8 P Pt
Calculated formula	C29 H33 Cl8 P Pt
SMILES	[Pt]12([P](c3c(cccc3)[C]1(=[CH2]2)C)(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Oxidative Dehydrogenation of Tris(o-isopropylphenyl)phosphines by Platinum Complexes
Authors of publication	Baber, Angharad; Fan, Cheng; Norman, David W.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	5906
a	11.281 ± 0.003 Å
b	12.104 ± 0.002 Å
c	13.133 ± 0.003 Å
α	89.331 ± 0.015°
β	76.72 ± 0.02°
γ	75.78 ± 0.019°
Cell volume	1689.9 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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.	4071780.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071780.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071780.cif
44035	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071780 via cif-deposit CGI script.	4071780.cif