Crystallography Open Database

Information card for entry 7113115

Preview

Coordinates	7113115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H72 Li2 Mn2 N4 O
Calculated formula	C36 H72 Li2 Mn2 N4 O
Title of publication	Manganese(II)‒lithium and ‒sodium inverse crown ether (ICE) complexes
Authors of publication	Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Newton, Sean; Wright, Dominic S.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2008
Journal issue	3
Pages of publication	308 - 310
a	16.9678 ± 0.0006 Å
b	17.0135 ± 0.0006 Å
c	15.7137 ± 0.0005 Å
α	90°
β	118.803 ± 0.002°
γ	90°
Cell volume	3975 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7102829
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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