Crystallography Open Database

Information card for entry 2008229

2008228 << 2008229 >> 2008230

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Coordinates	2008229.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(saccharinato)aquabis(2,2'-bipyridene)manganese(II)saccharinate
Formula	C34 H26 Mn N6 O7 S2
Calculated formula	C34 H26 Mn N6 O7 S2
SMILES	[Mn]12([OH2])(N3S(=O)(=O)c4c(C3=O)cccc4)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.S1(=O)(=O)[N-]C(=O)c2ccccc12
Title of publication	The first manganese(II) compound with the saccharinate ligand present both in the complex cation and as the counter-ion: [Mn(bipy)~2~(sac)(H~2~O)]^+^^.^sac^{-^}
Authors of publication	Dillon, Keith B.; Bilton, Clair; Howard, Judith A. K.; Hoy, Vanessa J.; Deng, Robert M. K.; Sethatho, David T.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	3
Pages of publication	330 - 332
a	7.7544 ± 0.0002 Å
b	31.6493 ± 0.001 Å
c	13.2174 ± 0.0004 Å
α	90°
β	93.004 ± 0.001°
γ	90°
Cell volume	3239.37 ± 0.16 Å³
Cell temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for significantly intense reflections	1.065
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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