Crystallography Open Database

Information card for entry 4066756

Preview

Coordinates	4066756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N2 V
Calculated formula	C22 H18 N2 V
SMILES	[V]123456789([C](#[C]1c1ccncc1)c1ccncc1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91
Title of publication	Bridging Azines in the Coordination Sphere of Low-Valent Vanadocene Derivatives†
Authors of publication	Jordan, Markus; Saak, Wolfgang; Haase, Detlev; Beckhaus, Rüdiger
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	22
Pages of publication	5859
a	7.9771 ± 0.0007 Å
b	14.1609 ± 0.0017 Å
c	15.86 ± 0.002 Å
α	89.351 ± 0.015°
β	87.114 ± 0.013°
γ	75.525 ± 0.012°
Cell volume	1732.5 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	0.695
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
178559 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/67.	4066756.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066756.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066756.cif
33974	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066755, 4066756, 4066757, 4066758, 4066759, 4066760, 4066761, 4066762, 4066763 via cif-deposit CGI script.	4066756.cif