Crystallography Open Database

Information card for entry 4071076

Preview

Coordinates	4071076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H37 N3 O W
Calculated formula	C21 H37 N3 O W
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	8.0022 ± 0.001 Å
b	16.383 ± 0.003 Å
c	17.082 ± 0.003 Å
α	84.451 ± 0.006°
β	89.925 ± 0.006°
γ	84.088 ± 0.006°
Cell volume	2217 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.0553
Goodness-of-fit parameter for all reflections included in the refinement	0.883
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4071076.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071076.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071076.cif
43030	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071076 via cif-deposit CGI script.	4071076.cif