Crystallography Open Database

Information card for entry 4313867

Preview

Coordinates	4313867.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(bis(tert-butylamido)phenylborane)-vanadium
Formula	C28 H46 B2 N4 V
Calculated formula	C28 H46 B2 N4 V
SMILES	B1(c2ccccc2)N(C(C)(C)C)[V]2(N(C(C)(C)C)B(c3ccccc3)N2C(C)(C)C)N1C(C)(C)C
Title of publication	Bis(alkylamido)phenylborane Complexes of Zirconium, Hafnium, and Vanadium
Authors of publication	David R. Manke; Daniel G. Nocera
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	4431 - 4436
a	17.297 ± 0.007 Å
b	8.976 ± 0.004 Å
c	20.237 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	3142 ± 2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
265253 (current)	2021-05-16	cif/4 Fixing Z values and formulae	4313867.cif
179204	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/38.	4313867.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313867.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313867.cif
6937	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4313867 via cif-deposit CGI script.	4313867.cif