Crystallography Open Database

Information card for entry 4321946

4321945 << 4321946 >> 4321947

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Coordinates	4321946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H18 Cr O3 S3 Si
Calculated formula	C10 H18 Cr O3 S3 Si
SMILES	[Cr]12([S](C[Si](C)(C[S]1C)C[S]2C)C)(C#[O])(C#[O])C#[O]
Title of publication	Tris[(alkylthio)methyl]silanes: Syntheses and Structures of Chromium, Molybdenum, and Tungsten Complexes with a Tripodal Thioether Ligand
Authors of publication	Hing W. Yim; Linh M. Tran; Ebern D. Dobbin; Daniel Rabinovich; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	2211 - 2215
a	8.1658 ± 0.0002 Å
b	15.0563 ± 0.0002 Å
c	26.5791 ± 0.0003 Å
α	90°
β	90.3653 ± 0.0006°
γ	90°
Cell volume	3267.75 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.255
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
179322 (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 4/32/19.	4321946.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321946.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321946.cif
19810	2011-05-26	../uploads/cif-deposit/cod/cif Adding structures of 4321946 via cif-deposit CGI script.	4321946.cif