Crystallography Open Database

Information card for entry 7715918

Preview

Coordinates	7715918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H62 Co0.11 N3 Ni0.89 O5
Calculated formula	C43 H62 Co0.1111 N3 Ni0.8889 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 monocrystal destruction.
Authors of publication	Bubnov, Michael P.; Zolotukhin, Alexey A.; Fukin, Georgy K.; Rumyantcev, Roman V.; Bogomyakov, Artem S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	21
Pages of publication	9151 - 9160
a	10.70656 ± 0.00013 Å
b	15.45339 ± 0.00016 Å
c	26.9829 ± 0.0004 Å
α	90°
β	100.621 ± 0.0012°
γ	90°
Cell volume	4387.9 ± 0.1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
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	0.0742
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
293143 (current)	2024-07-05	cif/ Updating files of 7715910, 7715911, 7715912, 7715913, 7715914, 7715915, 7715916, 7715917, 7715918 Original log message: Adding full bibliography for 7715910--7715918.cif.	7715918.cif
291446	2024-05-02	cif/ Adding structures of 7715910, 7715911, 7715912, 7715913, 7715914, 7715915, 7715916, 7715917, 7715918 via cif-deposit CGI script.	7715918.cif