Crystallography Open Database

Information card for entry 4328426

Preview

Coordinates	4328426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H80 N4 O10 Ru3 Si8 Sn2
Calculated formula	C41 H80 N4 O10 Ru3 Si8 Sn2
SMILES	C[Si](C)(C)N([Si](C)(C)C)[Sn]1(N([Si](C)(C)C)[Si](C)(C)C)[Ru]23(C#[O])(C#[O])(C#[O])[Ru]41(C#[O])(C#[O])(C#[O])C(=O)[Ru]24(C#[O])(C#[O])(C#[O])[Sn]3(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.Cc1ccccc1
Title of publication	Synthesis of Mixed Tin-Ruthenium and Tin-Germanium-Ruthenium Carbonyl Clusters from [Ru3(CO)12] and Diaminometalenes (M = Sn, Ge)
Authors of publication	Javier A. Cabeza; Pablo García-Álvarez; Diego Polo
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2569 - 2576
a	15.451 ± 0.0002 Å
b	22.2487 ± 0.0002 Å
c	19.937 ± 0.0002 Å
α	90°
β	111.842 ± 0.001°
γ	90°
Cell volume	6361.64 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0586
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328426.cif
77392	2013-03-26	cif/ Adding structures of 4328426 via cif-deposit CGI script.	4328426.cif