Crystallography Open Database

Information card for entry 4072265

Preview

Coordinates	4072265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H21 O2 P2 V
Calculated formula	C13 H21 O2 P2 V
SMILES	C(#[O])[V]12345([cH]6[cH]1[cH]2[cH]4[cH]36)([P](C)(C)CC[P]5(C)C)C#[O]
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	7.024 ± 0.002 Å
b	13.185 ± 0.004 Å
c	8.438 ± 0.002 Å
α	90°
β	101.602 ± 0.004°
γ	90°
Cell volume	765.5 ± 0.4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	0.857
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.	4072265.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072265.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072265.cif
44313	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072265 via cif-deposit CGI script.	4072265.cif