Crystallography Open Database

Information card for entry 4073659

Preview

Coordinates	4073659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H39 N O2 Si W
Calculated formula	C35 H39 N O2 Si W
SMILES	[W]12345([N]([Si](c6ccc(cc6)C)(c6ccc(cc6)C)c6ccc(cc6)C)=C1C)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Three- and Five-Membered W/C/N Metallacycles Formed by Incorporation of Acetonitrile Molecules into Silyltungsten Intermediates†
Authors of publication	Suzuki, Eiji; Komuro, Takashi; Okazaki, Masaaki; Tobita, Hiromi
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	18
Pages of publication	4379
a	8.9733 ± 0.0004 Å
b	14.8189 ± 0.0006 Å
c	24.2085 ± 0.0013 Å
α	90°
β	92.3395 ± 0.0015°
γ	90°
Cell volume	3216.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0892
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.329
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178625 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/36.	4073659.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073659.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073659.cif
46470	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073659, 4073660 via cif-deposit CGI script.	4073659.cif