Crystallography Open Database

Information card for entry 7061031

Preview

Coordinates	7061031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Mn N8 O10
Calculated formula	C16 H14 Mn N8 O10
Title of publication	Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion
Authors of publication	Gurskiy, Stanislav I.; Maklakov, Sergey S.; Dmitrieva, Natalia E.; Tafeenko, Viktor A.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	46
Pages of publication	21684 - 21691
a	6.963 ± 0.002 Å
b	8.591 ± 0.001 Å
c	10.532 ± 0.002 Å
α	105.2 ± 0.02°
β	97.89 ± 0.02°
γ	109.8 ± 0.02°
Cell volume	554 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271195 (current)	2021-12-07	cif/ Updating files of 7061031, 7061032 Original log message: Adding full bibliography for 7061031--7061032.cif.	7061031.cif
270173	2021-10-30	cif/ Adding structures of 7061031, 7061032 via cif-deposit CGI script.	7061031.cif