Crystallography Open Database

Information card for entry 4109533

Preview

Coordinates	4109533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H49 O4 P Pd Ru Sn
Calculated formula	C42 H49 O4 P Pd Ru Sn
SMILES	[Pd]123([Ru]([Sn](c4ccccc4)(c4ccccc4)c4ccccc4)([C]2(=[CH2]1)c1ccccc1)(C#[O])(C#[O])(C#[O])C3=O)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Activation of Metal Hydride Complexes by Tri-tert-butylphosphine-Platinum and -Palladium Groups
Authors of publication	Richard D. Adams; Burjor Captain; Eszter Trufan; Lei Zhu
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7545 - 7556
a	11.5256 ± 0.0005 Å
b	12.7825 ± 0.0006 Å
c	17.0037 ± 0.0008 Å
α	101.212 ± 0.001°
β	106.474 ± 0.001°
γ	103.063 ± 0.001°
Cell volume	2248.67 ± 0.18 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1729
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
178841 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/95.	4109533.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109533.cif
58310	2012-05-28	cif/ Adding structures of 4109533 via cif-deposit CGI script.	4109533.cif