Crystallography Open Database

Information card for entry 7014690

Preview

Coordinates	7014690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H64 N4 V2
Calculated formula	C72 H64 N4 V2
Title of publication	Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.
Authors of publication	Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	10
Pages of publication	2324 - 2331
a	24.8878 ± 0.0012 Å
b	9.5634 ± 0.0005 Å
c	25.2169 ± 0.0012 Å
α	90°
β	112.559 ± 0.002°
γ	90°
Cell volume	5542.7 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for all reflections	0.1683
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179850 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/46.	7014690.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014690.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014690.cif
14824	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014688, 7014689, 7014690, 7014691, 7014692, 7014693 via cif-deposit CGI script.	7014690.cif