Crystallography Open Database

Information card for entry 8107423

Preview

Coordinates	8107423.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(acridinium) tetrabromidomanganate(II)
Formula	C26 H20 Br4 Mn N2
Calculated formula	C26 H20 Br4 Mn N2
SMILES	[Mn](Br)(Br)([Br-])[Br-].[nH+]1c2ccccc2cc2ccccc12.[nH+]1c2ccccc2cc2ccccc12
Title of publication	Crystal structure of bis(acridinium) tetrabromidomanganate(II), C26H20Br4MnN2
Authors of publication	Ha, Kwang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	303 - 304
a	9.5638 ± 0.0011 Å
b	10.2013 ± 0.0011 Å
c	14.6758 ± 0.0016 Å
α	97.534 ± 0.004°
β	93.522 ± 0.004°
γ	113.149 ± 0.004°
Cell volume	1295.1 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0585
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0953
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284533 (current)	2023-06-26	cif/ Adding structures of 8107423 via cif-deposit CGI script.	8107423.cif