Crystallography Open Database

Information card for entry 4071072

Preview

Coordinates	4071072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H31 N O W
Calculated formula	C18 H31 N O W
SMILES	[CH2]1=[CH]2C[W]345612(CC(C)(C)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)N=O
Title of publication	Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands
Authors of publication	Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1634
a	10.651 ± 0.0006 Å
b	11.5052 ± 0.0006 Å
c	15.1007 ± 0.0008 Å
α	90°
β	96.778 ± 0.003°
γ	90°
Cell volume	1837.54 ± 0.17 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
178599 (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 4/07/10.	4071072.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071072.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071072.cif
43026	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071072 via cif-deposit CGI script.	4071072.cif