Crystallography Open Database

Information card for entry 4074938

Preview

Coordinates	4074938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H35 Br N3 V
Calculated formula	C28 H35 Br N3 V
SMILES	Br[V]12345(N(C)C)[c]67[c]3([cH]4[cH]2[c]16CCN1C=5N(C=C1)c1c(cccc1C(C)C)C(C)C)cccc7
Title of publication	Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium
Authors of publication	Downing, Stephen P.; Danopoulos, Andreas A.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	6
Pages of publication	1337 - 1340
a	8.208 ± 0.004 Å
b	9.877 ± 0.006 Å
c	17.305 ± 0.01 Å
α	100.63 ± 0.08°
β	97.83 ± 0.04°
γ	105.38 ± 0.05°
Cell volume	1303.8 ± 1.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
209844 (current)	2018-08-17	cif/4/ Updating bibliography in entries 4060938-4060940, 4074936-4074938. Marking entries 4060938-4060940 as duplicates of entries 4074936-4074938.	4074938.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4074938.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074938.cif
48976	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074936, 4074937, 4074938 via cif-deposit CGI script.	4074938.cif