Crystallography Open Database

Information card for entry 4109984

Preview

Coordinates	4109984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H30 O9 Ru3 Sn3
Calculated formula	C45 H30 O9 Ru3 Sn3
SMILES	[Ru]123([Ru]4([Ru]1([Sn]3(c1ccccc1)c1ccccc1)([Sn]4(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])([Sn]2(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis, Characterization, and Electronic Structures of a Series of Two-Dimensional Trimetallic Cluster Complexes, Ru3(CO)9(μ-SnPh2)3[Pt(PBut3)]x, x = 0-3
Authors of publication	Richard D. Adams; Burjor Captain; Michael B. Hall; Eszter Trufan; Xinzheng Yang
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	12328 - 12340
a	24.8837 ± 0.0011 Å
b	16.4642 ± 0.0007 Å
c	25.8863 ± 0.0011 Å
α	90°
β	117.634 ± 0.001°
γ	90°
Cell volume	9395.6 ± 0.7 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1
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
178845 (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 4/10/99.	4109984.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109984.cif
58763	2012-05-30	cif/ Adding structures of 4109984 via cif-deposit CGI script.	4109984.cif