Crystallography Open Database

Information card for entry 4071719

Preview

Coordinates	4071719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29 N2 V
Calculated formula	C19 H29 N2 V
SMILES	[V]1234(=Nc5ccc(cc5)C)(N(C(C)C)C(C)C)([cH]5[cH]4[cH]3[cH]2[cH]15)C
Title of publication	Relative Reactivity of the Metal−Amido versus Metal−Imido Bond in Linked Cp-Amido and Half-Sandwich Complexes of Vanadium
Authors of publication	Bouwkamp, Marco W.; Batinas, Aurora A.; Witte, Peter T.; Hubregtse, Ton; Dam, Jeroen; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	16
Pages of publication	4071
a	13.38 ± 0.001 Å
b	11.0573 ± 0.0009 Å
c	13.949 ± 0.001 Å
α	90°
β	116.596 ± 0.001°
γ	90°
Cell volume	1845.3 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
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	0.0831
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178606 (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 4/07/17.	4071719.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071719.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071719.cif
43995	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071719 via cif-deposit CGI script.	4071719.cif