Crystallography Open Database

Information card for entry 4077549

Preview

Coordinates	4077549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H45 N3 Si2 W
Calculated formula	C40 H45 N3 Si2 W
SMILES	[W]12(CC(=C(C1c1ccccc1)c1ccccc1)c1ccccc1)(=Nc1ccccc1)N([Si](C)(C)C)c1ccccc1N2[Si](C)(C)C
Title of publication	Synthesis of d2Tungsten Arene Complexes and Their Reaction with Diphenylacetylene
Authors of publication	Mills, R. C.; Abboud, K. A.; Boncella, J. M.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	16
Pages of publication	2953
a	18.4684 ± 0.0008 Å
b	20.4038 ± 0.0009 Å
c	20.9892 ± 0.0009 Å
α	90°
β	109.78 ± 0.001°
γ	90°
Cell volume	7442.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0548
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
178664 (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 4/07/75.	4077549.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077549.cif
54622	2012-04-28	cif/ Adding structures of 4077548, 4077549 via cif-deposit CGI script.	4077549.cif