Crystallography Open Database

Information card for entry 4111018

Preview

Coordinates	4111018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H49 O4 Os P Pt Sn
Calculated formula	C42 H49 O4 Os P Pt Sn
SMILES	[Pt]1([Os]2([Sn](c3ccccc3)(c3ccccc3)c3ccccc3)([CH]1=[CH]2c1ccccc1)(C#[O])(C#[O])C#[O])([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O]
Title of publication	Platinum Promoted Insertion of an Alkyne into a Metal-Hydrogen Bond
Authors of publication	Richard D. Adams; Burjor Captain; Lei Zhu
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	13672 - 13673
a	15.261 ± 0.0015 Å
b	15.4146 ± 0.0015 Å
c	21.044 ± 0.002 Å
α	76.544 ± 0.002°
β	73.541 ± 0.002°
γ	76.415 ± 0.002°
Cell volume	4540.9 ± 0.8 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	0.0624
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
178881 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10.	4111018.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111018.cif
89807	2013-11-12	smi/4 Adding SMILES of metal carbonyls.	4111018.cif
60541	2012-06-15	cif/ Adding structures of 4111018 via cif-deposit CGI script.	4111018.cif