Crystallography Open Database

Information card for entry 4067567

Preview

Coordinates	4067567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H33 N3 O W
Calculated formula	C22.97 H35.97 N3 Si W
Title of publication	Ground-State Electronic Asymmetry in Cp*W(NO)(η1-isonitrile)2Complexes
Authors of publication	Semproni, Scott P.; McNeil, W. Stephen; Baillie, Rhett A.; Patrick, Brian O.; Campana, Charles F.; Legzdins, Peter
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	4
Pages of publication	867
a	13.4169 ± 0.0009 Å
b	14.0093 ± 0.0009 Å
c	15.6949 ± 0.0016 Å
α	96.891 ± 0.003°
β	102.975 ± 0.003°
γ	117.591 ± 0.002°
Cell volume	2460.6 ± 0.3 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	0.035
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4067567.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067567.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067567.cif
34232	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067567, 4067568, 4067569 via cif-deposit CGI script.	4067567.cif