Crystallography Open Database

Information card for entry 7045685

Preview

Coordinates	7045685.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	no
Chemical name	N-methylimidazole complex of iron(II) phthalocyanine o-dichlorobenzene solvate
Formula	C52 H36 Cl4 Fe N12
Calculated formula	C52 H36 Cl4 Fe N12
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	24.6494 ± 0.0013 Å
b	10.6126 ± 0.0004 Å
c	18.1082 ± 0.0008 Å
α	90°
β	108.584 ± 0.005°
γ	90°
Cell volume	4490 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1618
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7045685.cif
206571	2018-02-22	cif/ Adding structures of 7045682, 7045683, 7045684, 7045685 via cif-deposit CGI script.	7045685.cif