Crystallography Open Database

Information card for entry 4072264

Preview

Coordinates	4072264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H37 Cl2 P2 Si V
Calculated formula	C29 H37 Cl2 P2 Si V
SMILES	[V]12345([cH]6[cH]3[cH]5[cH]2[cH]46)([Si](c2ccccc2)(Cl)c2ccccc2)([P](C)(CC[P]1(C)C)C)Cl.c1ccccc1
Title of publication	Paramagnetic Vanadium Silyl Complexes: Synthesis, Structure, and Reactivity
Authors of publication	Shinohara, Akihiro; McBee, Jennifer; Waterman, Rory; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	21
Pages of publication	5717
a	17.424 ± 0.0013 Å
b	9.493 ± 0.0007 Å
c	17.8481 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2952.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for all reflections included in the refinement	0.632
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
178611 (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 4/07/22.	4072264.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072264.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072264.cif
44312	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072264 via cif-deposit CGI script.	4072264.cif