Crystallography Open Database

Information card for entry 7710496

Preview

Coordinates	7710496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H136 Cl10 K2 Mn3 N14 O20
Calculated formula	C120 H136 Cl10 K2 Mn3 N14 O20
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	16.7101 ± 0.0005 Å
b	18.1789 ± 0.0004 Å
c	22.344 ± 0.0007 Å
α	90°
β	107.465 ± 0.003°
γ	90°
Cell volume	6474.6 ± 0.3 Å³
Cell temperature	109 ± 3 K
Ambient diffraction temperature	109 ± 3 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	0.084
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1461
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.	7710496.cif