Crystallography Open Database

Information card for entry 7045683

Preview

Coordinates	7045683.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	no
Chemical name	N-methylimidazole complex of vanadium(II) phthalocyanine o-dichlorobenzene solvate
Formula	C52 H36 Cl4 N12 V
Calculated formula	C52 H36 Cl4 N12 V
Title of publication	Synthesis and properties of N-methylimidazole solvates of vanadium(ii), chromium(ii) and iron(ii) phthalocyanines. Strong NIR absorption in V<sup>II</sup>(MeIm)<sub>2</sub>(Pc<sup>2-</sup>).
Authors of publication	Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	13
Pages of publication	4661 - 4671
a	13.7115 ± 0.0002 Å
b	17.6061 ± 0.0002 Å
c	9.5608 ± 0.0001 Å
α	90°
β	100.538 ± 0.001°
γ	90°
Cell volume	2269.11 ± 0.05 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 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	0.0415
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
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
229743 (current)	2019-11-17	cif/ Updating files of 7045682, 7045683, 7045684, 7045685 Original log message: Adding full bibliography for 7045682--7045685.cif.	7045683.cif
206571	2018-02-22	cif/ Adding structures of 7045682, 7045683, 7045684, 7045685 via cif-deposit CGI script.	7045683.cif