Crystallography Open Database

Information card for entry 7721063

Preview

Coordinates	7721063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C232 H296 Cs6 N36 O39 V3
Calculated formula	C204 H264 Cs6 N36 O39 V3
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	12.6407 ± 0.0002 Å
b	14.2152 ± 0.0002 Å
c	33.5193 ± 0.0005 Å
α	79.781 ± 0.001°
β	79.274 ± 0.001°
γ	82.532 ± 0.001°
Cell volume	5794.63 ± 0.15 Å³
Cell temperature	114 ± 13 K
Ambient diffraction temperature	114 ± 13 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7721063.cif