Crystallography Open Database

Information card for entry 7026541

Preview

Coordinates	7026541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H66 N4 P2 V2
Calculated formula	C52 H66 N4 P2 V2
SMILES	[V]12345([P](C)(C)C)(N=N[V]6789%10([P](C)(C)C)([cH]%11[cH]6[cH]7[cH]8[c]9%11CCN(C)C)C(=C%10c6ccccc6)c6ccccc6)([cH]6[cH]1[cH]2[cH]3[c]46CCN(C)C)C(=C5c1ccccc1)c1ccccc1
Title of publication	Synthesis and structure of an aminoethyl-functionalized cyclopentadienyl vanadium(I) dinitrogen complex.
Authors of publication	Liu, Guohua; Liang, Xiaohui; Meetsma, Auke; Hessen, Bart
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	34
Pages of publication	7891 - 7893
a	12.182 ± 0.002 Å
b	14.323 ± 0.003 Å
c	14.344 ± 0.003 Å
α	79.989 ± 0.003°
β	83.952 ± 0.003°
γ	88.051 ± 0.003°
Cell volume	2450.6 ± 0.8 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0853
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	0.903
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
179971 (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 7/02/65.	7026541.cif
93526	2014-01-13	cif/ Adding structures of 7026541 via cif-deposit CGI script.	7026541.cif