Crystallography Open Database

Information card for entry 7715917

Preview

Coordinates	7715917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H62 N3 Ni O5
Calculated formula	C43 H62 N3 Ni O5
Title of publication	Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue. Phase transitions and monocrystals destruction
Authors of publication	Bubnov, Michael; Zolotukhin, Alexey; Fukin, Georgii K.; Rumyantcev, Roman V.; Bogomyakov, Artem
Journal of publication	Dalton Transactions
Year of publication	2024
a	10.7053 ± 0.0002 Å
b	15.476 ± 0.0002 Å
c	26.9999 ± 0.0005 Å
α	90°
β	100.978 ± 0.002°
γ	90°
Cell volume	4391.36 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
291446 (current)	2024-05-02	cif/ Adding structures of 7715910, 7715911, 7715912, 7715913, 7715914, 7715915, 7715916, 7715917, 7715918 via cif-deposit CGI script.	7715917.cif