Crystallography Open Database

Information card for entry 4071074

Preview

Coordinates	4071074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H44 N2 O W
Calculated formula	C25 H44 N2 O W
SMILES	C(C(C)(C)C)[W]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(N=O)N1CCCCC1C(C)(C)C=C
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	10.776 ± 0.001 Å
b	18.681 ± 0.002 Å
c	13.048 ± 0.001 Å
α	90°
β	98.56 ± 0.005°
γ	90°
Cell volume	2597.4 ± 0.4 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	0.0252
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0502
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
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.	4071074.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071074.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071074.cif
43028	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071074 via cif-deposit CGI script.	4071074.cif