Crystallography Open Database

Information card for entry 7012979

Preview

Coordinates	7012979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H45 N4 P V
Calculated formula	C29 H45 N4 P V
SMILES	[V]123(P(c4ccccc4)c4ccccc4)[N](=C(C)C=C(N2CC[N]3(CC)CC)C)CC[N]1(CC)CC
Title of publication	Vanadium complexes incorporating the ?-diketiminato ligand L. Syntheses and structures of LV(OSO2CF3)2 and LVPPh2
Authors of publication	Neculai, Dante; Mirela Neculai, Ana; Roesky, Herbert W.; Herbst-Irmer, Regine; Walfort, Bernhard; Stalke, Dietmar
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	14
Pages of publication	2831
a	12.74 ± 0.003 Å
b	14.466 ± 0.003 Å
c	15.247 ± 0.003 Å
α	90°
β	93.55 ± 0.03°
γ	90°
Cell volume	2804.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	1.153
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012979.cif
179833	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/29.	7012979.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012979.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012979.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012979.cif