Crystallography Open Database

Information card for entry 7710494

Preview

Coordinates	7710494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H134 Cl8 Gd2 K2 Mn N14 O12
Calculated formula	C124 H134 Cl8 Gd2 K2 Mn 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	13.9492 ± 0.0003 Å
b	14.2598 ± 0.0002 Å
c	17.5018 ± 0.0003 Å
α	73.112 ± 0.002°
β	78.193 ± 0.002°
γ	67.321 ± 0.002°
Cell volume	3056.67 ± 0.11 Å³
Cell temperature	106 ± 2 K
Ambient diffraction temperature	106 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	7710494.cif