Crystallography Open Database

Information card for entry 4066759

Preview

Coordinates	4066759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H140 B2 N2 O4 V2
Calculated formula	C114 H140 B2 N2 O4 V2
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	19.5977 ± 0.0008 Å
b	15.623 ± 0.0009 Å
c	32.2035 ± 0.0014 Å
α	90°
β	91.522 ± 0.005°
γ	90°
Cell volume	9856.4 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	0.843
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4066759.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066759.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066759.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.	4066759.cif