Crystallography Open Database

Information card for entry 7027596

Preview

Coordinates	7027596.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[V2(H)2{SiMe3N(CH2CH2NSiMe3)2}2]
Formula	C26 H72 N6 Si6 V2
Calculated formula	C26 H72 N6 Si6 V2
SMILES	[V]123([N](CCN3[Si](C)(C)C)(CCN1[Si](C)(C)C)[Si](C)(C)C)[H][V]13([H]2)N(CC[N]1(CCN3[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
Title of publication	Vanadium(III) complexes incorporating the silylamino(disilylamido) ligand [(Me3Si)N{CH2CH2N(SiMe3)}2]2− [N{N″}2]2−. Synthesis and crystal structure of the dimeric, non-metallocene vanadium(III) hydride [{V(N{N″}2)}2(μ-H)2]
Authors of publication	Clancy, Gerald P.; Clark, Howard C. S.; Clentsmith, Guy K. B.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	19
Pages of publication	3345
a	10.562 ± 0.005 Å
b	18.902 ± 0.002 Å
c	11.236 Å
α	90 ± 0.03°
β	113.73°
γ	90°
Cell volume	2053.5 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.048
Weighted residual factors for all reflections	0.1265
Weighted residual factors for significantly intense reflections	0.1125
Goodness-of-fit parameter for all reflections	0.998
Goodness-of-fit parameter for significantly intense reflections	1.016
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
179981 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/75.	7027596.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7027596.cif
95520	2014-01-28	cif/ Adding structures of 7027596 via cif-deposit CGI script.	7027596.cif