Crystallography Open Database

Information card for entry 4330887

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Structure parameters

Common name	Mn(II)(pytren) Br2
Formula	C26 H52 Br4 Mn2 N10 O4
Calculated formula	C26 H52 Br4 Mn2 N10 O4
Title of publication	A Binuclear MnIII Complex of a Scorpiand-Like Ligand Displaying a Single Unsupported MnIII-O-MnIII Bridge
Authors of publication	Salvador Blasco; Joan Cano; M. Paz Clares; Santiago García-Granda; Antonio Doménech; Hermas R. Jiménez; Begoña Verdejo; Francesc Lloret; Enrique García-España
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	11698 - 11706
a	10.6892 ± 0.0001 Å
b	10.6892 ± 0.0001 Å
c	55.4479 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	5486.64 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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