Crystallography Open Database

Information card for entry 8106902

Preview

Coordinates	8106902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 Mn N4 O9
Calculated formula	C42 H36 Mn N4 O9
Title of publication	Crystal structure of catena-[aqua((4-carboxyphenyl)acetato-κO)(μ2-(4-carboxyphenyl)acetato-κ2 O:O′)bis(4,4′-ethene-1,2-diyldipyridine-κN)manganese(II)], C42H36N4O9Mn
Authors of publication	Wei-Dong, Yin; Gui-Lian, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	441 - 444
a	9.6432 ± 0.001 Å
b	8.8336 ± 0.001 Å
c	42.379 ± 0.005 Å
α	90°
β	92.053 ± 0.001°
γ	90°
Cell volume	3607.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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