Crystallography Open Database

Information card for entry 7721064

Preview

Coordinates	7721064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144.75 H186 Cs4 N24 O24 Sn2
Calculated formula	C144.75 H186 Cs4 N24 O24 Sn2
Title of publication	Doubly Reduced Phthalocyanine Complexes of V(IV), Cu(II), and Sn(II): Synthesis, Structure, and Spin Dynamics
Authors of publication	Faraonov, Maxim A.; Romanenko, Nikita R.; Ivanov, Timur E.; Shmakov, Alexandr S.; Akimov, Alexander V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V.
Journal of publication	Dalton Transactions
Year of publication	2026
a	15.0125 ± 0.0002 Å
b	22.5983 ± 0.0003 Å
c	23.4253 ± 0.0003 Å
α	76.547 ± 0.001°
β	87.276 ± 0.001°
γ	86.398 ± 0.001°
Cell volume	7709.43 ± 0.18 Å³
Cell temperature	114.2 ± 0.14 K
Ambient diffraction temperature	114.2 ± 0.14 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.236
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
306156 (current)	2026-06-01	cif/ Adding structures of 7721062, 7721063, 7721064 via cif-deposit CGI script.	7721064.cif