Crystallography Open Database

Information card for entry 4069731

Preview

Coordinates	4069731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H70 O P2 Pt Si
Calculated formula	C47 H70 O P2 Pt Si
SMILES	[Pt]12([P](c3c([Si]2(C)c2c([P]1(C1CCCCC1)C1CCCCC1)cccc2)cccc3)(C1CCCCC1)C1CCCCC1)c1ccccc1.O(CC)CC
Title of publication	Synthesis and Characterization of Neutral and Cationic Platinum(II) Complexes Featuring Pincer-like Bis(phosphino)silyl Ligands: Si−H and Si−Cl Bond Activation Chemistry
Authors of publication	Mitton, Samuel J.; McDonald, Robert; Turculet, Laura
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5122
a	13.506 ± 0.005 Å
b	14.057 ± 0.005 Å
c	14.95 ± 0.006 Å
α	116.378 ± 0.004°
β	93.48 ± 0.004°
γ	112.518 ± 0.004°
Cell volume	2255.7 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0166
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0412
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	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.	4069731.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069731.cif
40416	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069729, 4069730, 4069731, 4069732, 4069733 via cif-deposit CGI script.	4069731.cif