Crystallography Open Database

Information card for entry 7038558

Preview

Coordinates	7038558.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Mn3Br6(18-crown-6)2
Formula	C24 H48 Br6 Mn3 O12
Calculated formula	C24 H48 Br6 Mn3 O12
SMILES	[Mn](Br)(Br)(Br)[Br][Mn]1234(Br)[O]5CC[O]1CCOCC[O]2CC[O]3CC[O]4CC5.[Mn]12345(Br)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
Title of publication	MnBr2/18-crown-6 coordination complexes showing high room temperature luminescence and quantum yield.
Authors of publication	Hausmann, David; Kuzmanoski, Ana; Feldmann, Claus
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	15
Pages of publication	6541 - 6547
a	16.802 ± 0.003 Å
b	10.888 ± 0.002 Å
c	21.772 ± 0.004 Å
α	90°
β	94.28 ± 0.03°
γ	90°
Cell volume	3971.9 ± 1.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
182692 (current)	2016-05-06	cif/ Updating files of 7038557, 7038558, 7038559 Original log message: Adding full bibliography for 7038557--7038559.cif.	7038558.cif
176907	2016-02-25	cif/ Adding structures of 7038557, 7038558, 7038559 via cif-deposit CGI script.	7038558.cif