Crystallography Open Database

Information card for entry 7710493

Preview

Coordinates	7710493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74.3 H90.9 Cl1.4 Fe K2 N14 O12
Calculated formula	C70 H88 Fe K2 N14 O12
Title of publication	Trinuclear coordination assemblies of low-spin dicyano manganese(ii) (S = 1/2) and iron(ii) (S = 0) phthalocyanines with manganese(ii) acetylacetonate, tris(cyclopentadienyl)gadolinium(iii) and neodymium(iii)
Authors of publication	Romanenko, Nikita R.; Kuzmin, Alexey V.; Mikhailenko, Maxim V.; Faraonov, Maxim A.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.7789 ± 0.0006 Å
b	13.5071 ± 0.0008 Å
c	13.6608 ± 0.0008 Å
α	111.912 ± 0.006°
β	111.362 ± 0.005°
γ	94.97 ± 0.004°
Cell volume	1968.5 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2852
Residual factor for significantly intense reflections	0.1261
Weighted residual factors for significantly intense reflections	0.3343
Weighted residual factors for all reflections included in the refinement	0.4374
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
276058 (current)	2022-06-16	cif/ Adding structures of 7710492, 7710493, 7710494, 7710495, 7710496 via cif-deposit CGI script.	7710493.cif