Crystallography Open Database

Information card for entry 7108319

Preview

Coordinates	7108319.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mn10Oxa3DMF
Formula	C160.5 H225.1 Cl4 Mn10 N5.5 O36.8
Calculated formula	C160.5 H220.1 Cl4 Mn10 N5.5 O36.8
Title of publication	Oxacalix[3]arene-supported supertetrahedron
Authors of publication	Stephanie M. Taylor; Ruaraidh D. McIntosh; Julien Reze; Scott J. Dalgarno; Euan K. Brechin
Journal of publication	Chemical Communications
Year of publication	2012
Journal volume	48
Journal issue	74
Pages of publication	9263 - 9265
a	37.8284 ± 0.0018 Å
b	27.8091 ± 0.0013 Å
c	37.6849 ± 0.0019 Å
α	90°
β	114.965 ± 0.002°
γ	90°
Cell volume	35939 ± 3 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	0.2571
Residual factor for significantly intense reflections	0.1056
Weighted residual factors for significantly intense reflections	0.2373
Weighted residual factors for all reflections included in the refinement	0.2931
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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