Crystallography Open Database

Information card for entry 7714796

Preview

Coordinates	7714796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 Br4 Mn N4
Calculated formula	C4 H14 Br4 Mn N4
SMILES	Br[Mn](Br)([Br-])[Br-].[NH2+]=C(N)C.NC(=[NH2+])C
Title of publication	Optical and scintillation properties of hybrid manganese(II) bromides with formamidinium and acetamidinium cations.
Authors of publication	Fateev, Sergey A.; Kozhevnikova, Vladislava Y.; Kuznetsov, Kirill M.; Belikova, Daria E.; Khrustalev, Victor N.; Goodilin, Eugene A.; Tarasov, Alexey B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	6
Pages of publication	2722 - 2730
a	7.8711 ± 0.00007 Å
b	7.97838 ± 0.00009 Å
c	12.90853 ± 0.00012 Å
α	72.66 ± 0.0009°
β	78.5236 ± 0.0007°
γ	67.0044 ± 0.001°
Cell volume	709.158 ± 0.013 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0306
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
290185 (current)	2024-03-04	cif/ Updating files of 7714794, 7714795, 7714796 Original log message: Adding full bibliography for 7714794--7714796.cif.	7714796.cif
288456	2023-12-21	cif/ Adding structures of 7714794, 7714795, 7714796 via cif-deposit CGI script.	7714796.cif