Crystallography Open Database

Information card for entry 7710495

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Coordinates	7710495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H106 Cl18 Fe K2 N14 Nd2 O12
Calculated formula	C106 H106 Cl18 Fe K2 N14 Nd2 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	16.2343 ± 0.0003 Å
b	19.476 ± 0.0005 Å
c	20.9495 ± 0.0006 Å
α	108.677 ± 0.003°
β	95.219 ± 0.002°
γ	110.988 ± 0.002°
Cell volume	5698.1 ± 0.3 Å³
Cell temperature	101 ± 3 K
Ambient diffraction temperature	101 ± 3 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	0.1131
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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.	7710495.cif