Crystallography Open Database

Information card for entry 4069794

Preview

Coordinates	4069794.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3b, (dippdmae)Pt(CF3CCPh)
Formula	C19 H29 F3 N P Pt
Calculated formula	C19 H29 F3 N P Pt
SMILES	[Pt]12([P](C(C)C)(C(C)C)CC[N]1(C)C)[C](#[C]2C(F)(F)F)c1ccccc1
Title of publication	Reactivity Differences of Pt0Phosphine Complexes in C−C Bond Activation of Asymmetric Acetylenes
Authors of publication	Gunay, Ahmet; Müller, Christian; Lachicotte, Rene J.; Brennessel, William W.; Jones, William D.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	22
Pages of publication	6524
a	8.2861 ± 0.0005 Å
b	14.1213 ± 0.0008 Å
c	18.2354 ± 0.0011 Å
α	90°
β	99.688 ± 0.001°
γ	90°
Cell volume	2103.3 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0518
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
178586 (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 4/06/97.	4069794.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069794.cif
40445	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069789, 4069790, 4069791, 4069792, 4069793, 4069794, 4069795, 4069796 via cif-deposit CGI script.	4069794.cif