Crystallography Open Database

Information card for entry 8106634

Preview

Coordinates	8106634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 Mn3 O12
Calculated formula	C48 H42 Mn3 O12
Title of publication	Crystal structure of catena-poly[hexakis(μ2-2-acetylphenolato-κ3 O:O,O′)trimanganese(II)], C48H42Mn3O12
Authors of publication	Deng, Qian-jun; Chen, Dong-chu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	4
Pages of publication	661 - 663
a	9.1889 ± 0.0006 Å
b	9.3226 ± 0.0009 Å
c	12.8605 ± 0.0011 Å
α	79.231 ± 0.008°
β	73.223 ± 0.007°
γ	89.228 ± 0.007°
Cell volume	1035.26 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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