Crystallography Open Database

Information card for entry 7113386

Preview

Coordinates	7113386.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 1
Formula	C31 H79 B11 P2 Pt
Calculated formula	C31 H79 B11 P2 Pt
SMILES	[Pt]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C.[CH]1234[B]567(C)[B]891(C)[B]1%102(C)[B]2%113(C)[B]345(C)[B]45%11(C)[B]%11%102(C)[B]291(C)[B]168(C)[B]734(C)[B]5%1121C
Title of publication	[PtMe(iPr3P)2]+: a Pt(II) complex with an agostic interaction that undergoes C-H activation.
Authors of publication	Ingleson, Michael J.; Mahon, Mary F.; Weller, Andrew S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	21
Pages of publication	2398 - 2399
a	9.242 ± 0.0004 Å
b	12.983 ± 0.0005 Å
c	18.332 ± 0.0007 Å
α	87.486 ± 0.001°
β	86.543 ± 0.002°
γ	86.672 ± 0.002°
Cell volume	2190.13 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0537
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180247 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113386.cif
114615	2014-05-28	cif/ Adding structures of 7113386 via cif-deposit CGI script.	7113386.cif