Crystallography Open Database

Information card for entry 4115741

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Structure parameters

Formula	C38 H65 Cl N2 Si2 W
Calculated formula	C38 H65 Cl N2 Si2 W
SMILES	[W]1(N[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=N[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(=C1c1ccccc1)c1ccccc1)Cl
Title of publication	Synthesis of (tBu3SiNH)2ClW\τbWCl(NHSitBu3)2 and Its Degradation via NH Bond Activation
Authors of publication	Stephen M. Holmes; Daniel F. Schafer; Peter T. Wolczanski; Emil B. Lobkovsky
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	10571 - 10583
a	14.393 ± 0.002 Å
b	17.903 ± 0.003 Å
c	17.057 ± 0.002 Å
α	90°
β	110.903 ± 0.003°
γ	90°
Cell volume	4105.9 ± 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	0.0656
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4115741.cif
178928	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 4/11/57.	4115741.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115741.cif
69465	2012-12-18	cif/ Adding structures of 4115741 via cif-deposit CGI script.	4115741.cif