Crystallography Open Database

Information card for entry 2204653

2204652 << 2204653 >> 2204654

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Structure parameters

Chemical name	{2-[2'-(Diethylcarbamoylmethoxy)-1,1'-binaphthyl-2-yloxy]-N,N-diethylacetamide- κ^4^O}(2,4,6-trinitrophenolato)manganese(II)
Formula	C44 H40 Mn N8 O18
Calculated formula	C44 H40 Mn N8 O18
Title of publication	{2-[2'-(Diethylcarbamoylmethoxy)-1,1'-binaphth-2-yloxy]-<i>N</i>,<i>N</i>-diethylacetamide-κ^4^<i>O</i>}(2,4,6-trinitrophenolato)manganese(II)
Authors of publication	Ya-Wen Wang; Yan-Ling Guo; Wei-Sheng Liu; Kai-Bei Yu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	12
Pages of publication	m1801 - m1802
a	22.802 ± 0.004 Å
b	14.879 ± 0.002 Å
c	14.635 ± 0.002 Å
α	90°
β	109.69 ± 0.01°
γ	90°
Cell volume	4674.9 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0814
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	0.824
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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