Crystallography Open Database

Information card for entry 4341204

Preview

Coordinates	4341204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H39 N4 O Si3 V
Calculated formula	C15 H39 N4 O Si3 V
SMILES	[V]123(=O)N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C
Title of publication	Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes.
Authors of publication	Majumdar, Subhojit; Stauber, Julia M.; Palluccio, Taryn D.; Cai, Xiaochen; Velian, Alexandra; Rybak-Akimova, Elena V; Temprado, Manuel; Captain, Burjor; Cummins, Christopher C.; Hoff, Carl D.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141003140335004
a	9.6971 ± 0.0006 Å
b	16.2957 ± 0.001 Å
c	16.5852 ± 0.001 Å
α	66.341 ± 0.001°
β	89.977 ± 0.002°
γ	79.48 ± 0.002°
Cell volume	2352.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
179515 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12.	4341204.cif
124977	2014-10-07	cif/ Adding structures of 4341204 via cif-deposit CGI script.	4341204.cif