Crystallography Open Database

Information card for entry 7710492

Preview

Coordinates	7710492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H80 Cl20 Fe K2 N14 O12
Calculated formula	C82 H80 Cl20 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	13.1832 ± 0.0001 Å
b	19.504 ± 0.0002 Å
c	19.3262 ± 0.0002 Å
α	90°
β	102.044 ± 0.001°
γ	90°
Cell volume	4859.87 ± 0.08 Å³
Cell temperature	111 ± 8 K
Ambient diffraction temperature	111 ± 8 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
276058 (current)	2022-06-16	cif/ Adding structures of 7710492, 7710493, 7710494, 7710495, 7710496 via cif-deposit CGI script.	7710492.cif