Crystallography Open Database

Information card for entry 4341203

Preview

Coordinates	4341203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H57 N5 Si3 V
Calculated formula	C29 H57 N5 Si3 V
SMILES	[V]123(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)C#[N]C12CC3CC(C1)CC(C2)C3.c1ccccc1
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	11.7724 ± 0.0006 Å
b	14.6694 ± 0.0008 Å
c	40.006 ± 0.002 Å
α	90°
β	91.01 ± 0.001°
γ	90°
Cell volume	6907.7 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.2735
Weighted residual factors for all reflections included in the refinement	0.2847
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	4341203.cif
124976	2014-10-07	cif/ Adding structures of 4341203 via cif-deposit CGI script.	4341203.cif