##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Poly[[diaqua(μ₂-5,5-dioxodibenzo[b,d]thiophene-
3,7-dicarboxylato)(μ₂-ethylene glycol)manganese(II)] dimethylacetamide
solvate]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H16 Mn O10 S, C4 H9 N O'
_chemical_formula_sum     'C20 H25 Mn N O11 S'
_chemical_formula_iupac     '[Mn (C14 H6 O6 S) (C2 H6 O2) (H2 O)2], C4 H9 N O'
_chemical_formula_weight     542.41
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     7.0564(3)
_cell_length_b     11.8142(4)
_cell_length_c     28.0008(10)
_cell_angle_alpha     90.00
_cell_angle_beta     100.5440(10)
_cell_angle_gamma     90.00
_cell_volume     2294.89(15)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     9208
_cell_measurement_theta_min     2.28
_cell_measurement_theta_max     26
_cell_measurement_temperature     296(2)
_exptl_crystal_description     'columnar'
_exptl_crystal_colour     'colourless'
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.570
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1124
_exptl_absorpt_coefficient_mu     0.728
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2008)'
_exptl_absorpt_correction_T_min     0.8113
_exptl_absorpt_correction_T_max     0.9308
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     30673
_diffrn_reflns_av_R_equivalents     0.0247
_diffrn_reflns_av_sigmaI/netI     0.0176
_diffrn_reflns_theta_min     1.48
_diffrn_reflns_theta_max     28.41
_diffrn_reflns_theta_full     28.41
_diffrn_measured_fraction_theta_max     0.989
_diffrn_measured_fraction_theta_full     0.989
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     7
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -37
_diffrn_reflns_limit_l_max     36
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     5716
_reflns_number_gt     5221
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0335
_refine_ls_R_factor_gt     0.0301
_refine_ls_wR_factor_gt     0.0802
_refine_ls_wR_factor_ref     0.0828
_refine_ls_goodness_of_fit_ref     1.065
_refine_ls_restrained_S_all     1.066
_refine_ls_number_reflns     5716
_refine_ls_number_parameters     335
_refine_ls_number_restraints     4
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0425P)²+1.0021P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     'geom and difmap'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.321
_refine_diff_density_min     -0.359
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0011(3)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Mn' 'Mn' 0.3368 0.7283
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2007)'
_computing_cell_refinement     'SAINT (Bruker, 2007)'
_computing_data_reduction     'SAINT (Bruker, 2007)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL  (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL  (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Mn Mn1 0.22688(3) 0.673463(17) 0.267191(7) 0.02227(7) Uani d . 1 . .
    C C1 0.43784(19) 0.86846(12) 0.33374(5) 0.0236(3) Uani d . 1 . .
    C C2 0.53981(19) 0.90349(12) 0.38359(5) 0.0225(3) Uani d . 1 . .
    C C3 0.5765(2) 1.01741(12) 0.39461(5) 0.0249(3) Uani d . 1 . .
    H H3A 0.5433 1.0713 0.3703 0.030 Uiso calc R 1 . .
    C C4 0.5922(2) 0.82195(11) 0.41959(5) 0.0247(3) Uani d . 1 . .
    H H4A 0.5704 0.7454 0.4130 0.030 Uiso calc R 1 . .
    C C5 0.6613(2) 1.05261(12) 0.44092(5) 0.0247(3) Uani d . 1 . .
    H H5A 0.6842 1.1290 0.4476 0.030 Uiso calc R 1 . .
    C C6 0.67736(19) 0.85829(12) 0.46533(5) 0.0229(3) Uani d . 1 . .
    C C7 0.71153(19) 0.97220(11) 0.47712(5) 0.0216(2) Uani d . 1 . .
    C C8 0.79778(19) 0.98999(11) 0.52870(5) 0.0213(2) Uani d . 1 . .
    C C9 0.8502(2) 1.09104(11) 0.55269(5) 0.0244(3) Uani d . 1 . .
    H H9A 0.8314 1.1596 0.5362 0.029 Uiso calc R 1 . .
    C C10 0.8262(2) 0.88924(11) 0.55495(5) 0.0229(3) Uani d . 1 . .
    C C11 0.9316(2) 1.08823(12) 0.60187(5) 0.0242(3) Uani d . 1 . .
    H H11A 0.9687 1.1557 0.6180 0.029 Uiso calc R 1 . .
    C C12 0.90422(19) 0.88466(12) 0.60378(5) 0.0235(3) Uani d . 1 . .
    H H12A 0.9199 0.8161 0.6203 0.028 Uiso calc R 1 . .
    C C13 0.95877(18) 0.98663(11) 0.62747(5) 0.0215(3) Uani d . 1 . .
    C C14 1.05227(19) 0.98394(12) 0.68052(5) 0.0224(3) Uani d . 1 . .
    O O1 0.39522(15) 0.76549(9) 0.32753(4) 0.0290(2) Uani d . 1 . .
    O O2 0.39864(18) 0.94438(10) 0.30224(4) 0.0366(3) Uani d . 1 . .
    O O3 1.05942(16) 0.88879(9) 0.70073(4) 0.0316(2) Uani d . 1 . .
    O O4 1.11941(17) 1.07339(9) 0.70058(4) 0.0339(2) Uani d . 1 . .
    O O5 0.5980(2) 0.71159(11) 0.53019(4) 0.0437(3) Uani d . 1 . .
    O O6 0.92266(19) 0.70701(10) 0.51083(4) 0.0411(3) Uani d . 1 . .
    S S1 0.75616(5) 0.77206(3) 0.516692(12) 0.02602(9) Uani d . 1 . .
    C C15 -0.2116(2) 0.65002(14) 0.28938(6) 0.0334(3) Uani d . 1 . .
    H H15A -0.2780 0.6571 0.3167 0.040 Uiso calc R 1 . .
    H H15B -0.1888 0.5702 0.2847 0.040 Uiso calc R 1 . .
    C C16 -0.3383(2) 0.69648(15) 0.24442(6) 0.0334(3) Uani d . 1 . .
    H H16A -0.3629 0.7761 0.2490 0.040 Uiso calc R 1 . .
    H H16B -0.2730 0.6894 0.2169 0.040 Uiso calc R 1 . .
    O O7 -0.03049(15) 0.70750(10) 0.30054(4) 0.0312(2) Uani d . 1 . .
    H H7 -0.052(3) 0.777(2) 0.3005(8) 0.048(6) Uiso d . 1 . .
    O O8 -0.51664(16) 0.63629(11) 0.23467(5) 0.0381(3) Uani d D 1 . .
    H H8 -0.495(3) 0.5748(15) 0.2233(8) 0.052(6) Uiso d D 1 . .
    O O9 0.1821(2) 0.83273(10) 0.23213(5) 0.0471(3) Uani d D 1 . .
    H H9C 0.135(3) 0.854(2) 0.2043(6) 0.056(7) Uiso d D 1 . .
    H H9B 0.246(3) 0.8828(18) 0.2484(7) 0.057(7) Uiso d D 1 . .
    O O10 0.24423(19) 0.49977(10) 0.29494(5) 0.0352(3) Uani d . 1 . .
    H H10C 0.182(3) 0.474(2) 0.3150(9) 0.057(7) Uiso d . 1 . .
    H H10B 0.210(4) 0.463(2) 0.2701(10) 0.072(9) Uiso d . 1 . .
    C C17 -0.0751(4) 1.0498(2) 0.08416(8) 0.0639(6) Uani d . 1 . .
    H H17A -0.1888 1.0591 0.0981 0.096 Uiso calc R 1 . .
    H H17B -0.1115 1.0281 0.0507 0.096 Uiso calc R 1 . .
    H H17C -0.0053 1.1199 0.0863 0.096 Uiso calc R 1 . .
    C C18 0.0504(3) 0.95932(15) 0.11144(6) 0.0391(4) Uani d . 1 . .
    C C19 0.3395(3) 0.8464(2) 0.12584(8) 0.0578(5) Uani d . 1 . .
    H H19A 0.2600 0.7865 0.1344 0.087 Uiso calc R 1 . .
    H H19B 0.4142 0.8782 0.1548 0.087 Uiso calc R 1 . .
    H H19C 0.4244 0.8168 0.1057 0.087 Uiso calc R 1 . .
    C C20 0.2899(5) 0.9857(2) 0.05873(11) 0.0830(9) Uani d . 1 . .
    H H20A 0.2025 1.0437 0.0443 0.125 Uiso calc R 1 . .
    H H20B 0.3005 0.9288 0.0349 0.125 Uiso calc R 1 . .
    H H20C 0.4144 1.0184 0.0703 0.125 Uiso calc R 1 . .
    O O11 -0.0072(2) 0.90934(12) 0.14522(4) 0.0461(3) Uani d . 1 . .
    N N1 0.2175(2) 0.93427(13) 0.09933(6) 0.0440(3) Uani d . 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Mn1 0.02329(11) 0.02213(11) 0.01900(11) -0.00047(7) -0.00245(8) -0.00162(7)
    C1 0.0221(6) 0.0278(7) 0.0191(6) -0.0016(5) -0.0007(5) -0.0006(5)
    C2 0.0211(6) 0.0267(6) 0.0184(6) -0.0021(5) 0.0002(5) -0.0018(5)
    C3 0.0283(7) 0.0253(7) 0.0193(6) -0.0009(5) -0.0004(5) 0.0015(5)
    C4 0.0268(7) 0.0227(6) 0.0228(6) -0.0024(5) -0.0006(5) -0.0026(5)
    C5 0.0302(7) 0.0217(6) 0.0207(6) -0.0010(5) 0.0009(5) -0.0008(5)
    C6 0.0244(6) 0.0235(6) 0.0190(6) 0.0005(5) -0.0006(5) 0.0014(5)
    C7 0.0212(6) 0.0247(6) 0.0177(6) -0.0004(5) 0.0005(5) -0.0012(5)
    C8 0.0216(6) 0.0236(6) 0.0178(6) 0.0000(5) 0.0013(5) -0.0002(5)
    C9 0.0301(7) 0.0212(6) 0.0204(6) 0.0001(5) 0.0010(5) 0.0014(5)
    C10 0.0255(6) 0.0211(6) 0.0206(6) -0.0014(5) 0.0006(5) -0.0020(5)
    C11 0.0276(6) 0.0225(6) 0.0209(6) -0.0011(5) 0.0004(5) -0.0026(5)
    C12 0.0257(6) 0.0231(6) 0.0203(6) 0.0011(5) 0.0003(5) 0.0020(5)
    C13 0.0203(6) 0.0255(6) 0.0176(6) 0.0015(5) 0.0002(5) -0.0005(5)
    C14 0.0213(6) 0.0256(6) 0.0187(6) 0.0031(5) -0.0004(5) -0.0007(5)
    O1 0.0348(5) 0.0260(5) 0.0221(5) -0.0033(4) -0.0054(4) -0.0028(4)
    O2 0.0494(7) 0.0311(6) 0.0234(5) -0.0091(5) -0.0092(5) 0.0045(4)
    O3 0.0397(6) 0.0270(5) 0.0222(5) -0.0004(4) -0.0094(4) 0.0035(4)
    O4 0.0472(6) 0.0264(5) 0.0234(5) -0.0010(5) -0.0062(4) -0.0033(4)
    O5 0.0572(8) 0.0372(6) 0.0347(6) -0.0207(6) 0.0036(5) 0.0026(5)
    O6 0.0543(7) 0.0313(6) 0.0340(6) 0.0154(5) -0.0022(5) -0.0037(5)
    S1 0.03603(19) 0.01997(16) 0.01953(16) -0.00206(13) -0.00157(13)
                                                                    -0.00020(11)
    C15 0.0273(7) 0.0319(7) 0.0406(8) -0.0013(6) 0.0048(6) 0.0038(6)
    C16 0.0256(7) 0.0369(8) 0.0372(8) -0.0023(6) 0.0044(6) -0.0012(6)
    O7 0.0269(5) 0.0278(5) 0.0375(6) 0.0006(4) 0.0022(4) -0.0058(4)
    O8 0.0257(5) 0.0373(6) 0.0516(7) -0.0023(5) 0.0076(5) -0.0186(5)
    O9 0.0779(10) 0.0270(6) 0.0266(6) -0.0056(6) -0.0164(6) 0.0035(5)
    O10 0.0474(7) 0.0284(6) 0.0280(6) -0.0012(5) 0.0018(5) 0.0029(5)
    C17 0.0792(16) 0.0631(14) 0.0481(12) 0.0237(12) 0.0083(11) 0.0178(10)
    C18 0.0535(10) 0.0349(8) 0.0253(7) 0.0019(7) -0.0021(7) -0.0032(6)
    C19 0.0607(13) 0.0621(13) 0.0526(12) 0.0184(11) 0.0155(10) 0.0050(10)
    C20 0.103(2) 0.0651(16) 0.095(2) 0.0174(15) 0.0574(18) 0.0312(15)
    O11 0.0525(8) 0.0550(8) 0.0298(6) 0.0113(6) 0.0049(5) 0.0074(5)
    N1 0.0569(10) 0.0382(8) 0.0377(8) 0.0020(7) 0.0109(7) -0.0011(6)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Mn1 O9 . 2.1191(12) y
    Mn1 O3 4_475 2.1437(10) y
    Mn1 O1 . 2.1710(10) y
    Mn1 O10 . 2.1897(12) y
    Mn1 O8 1_655 2.2138(12) y
    Mn1 O7 . 2.2253(11) y
    C1 O2 . 1.2529(17) ?
    C1 O1 . 1.2576(18) ?
    C1 C2 . 1.5066(18) ?
    C2 C3 . 1.3943(19) ?
    C2 C4 . 1.3945(19) ?
    C3 C5 . 1.3889(19) ?
    C3 H3A . 0.9300 ?
    C4 C6 . 1.3799(18) ?
    C4 H4A . 0.9300 ?
    C5 C7 . 1.3871(18) ?
    C5 H5A . 0.9300 ?
    C6 C7 . 1.3961(19) ?
    C6 S1 . 1.7671(14) ?
    C7 C8 . 1.4762(17) ?
    C8 C9 . 1.3864(18) ?
    C8 C10 . 1.3941(18) ?
    C9 C11 . 1.3919(18) ?
    C9 H9A . 0.9300 ?
    C10 C12 . 1.3784(18) ?
    C10 S1 . 1.7648(13) ?
    C11 C13 . 1.3932(19) ?
    C11 H11A . 0.9300 ?
    C12 C13 . 1.3950(19) ?
    C12 H12A . 0.9300 ?
    C13 C14 . 1.5114(17) ?
    C14 O4 . 1.2488(17) ?
    C14 O3 . 1.2553(17) ?
    O3 Mn1 4_676 2.1437(10) ?
    O5 S1 . 1.4329(13) ?
    O6 S1 . 1.4382(13) ?
    C15 O7 . 1.4303(18) ?
    C15 C16 . 1.508(2) ?
    C15 H15A . 0.9700 ?
    C15 H15B . 0.9700 ?
    C16 O8 . 1.4275(19) ?
    C16 H16A . 0.9700 ?
    C16 H16B . 0.9700 ?
    O7 H7 . 0.84(2) ?
    O8 Mn1 1_455 2.2138(11) ?
    O8 H8 . 0.818(16) ?
    O9 H9C . 0.827(15) ?
    O9 H9B . 0.827(15) ?
    O10 H10C . 0.83(3) ?
    O10 H10B . 0.82(3) ?
    C17 C18 . 1.504(3) ?
    C17 H17A . 0.9600 ?
    C17 H17B . 0.9600 ?
    C17 H17C . 0.9600 ?
    C18 O11 . 1.245(2) ?
    C18 N1 . 1.318(2) ?
    C19 N1 . 1.461(3) ?
    C19 H19A . 0.9600 ?
    C19 H19B . 0.9600 ?
    C19 H19C . 0.9600 ?
    C20 N1 . 1.462(3) ?
    C20 H20A . 0.9600 ?
    C20 H20B . 0.9600 ?
    C20 H20C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O9 Mn1 O3 . 4_475 83.73(4) ?
    O9 Mn1 O1 . . 85.98(4) ?
    O3 Mn1 O1 4_475 . 169.61(4) ?
    O9 Mn1 O10 . . 172.07(5) ?
    O3 Mn1 O10 4_475 . 88.43(4) ?
    O1 Mn1 O10 . . 101.89(4) ?
    O9 Mn1 O8 . 1_655 92.82(6) ?
    O3 Mn1 O8 4_475 1_655 86.40(4) ?
    O1 Mn1 O8 . 1_655 92.72(4) ?
    O10 Mn1 O8 . 1_655 87.89(5) ?
    O9 Mn1 O7 . . 88.29(6) ?
    O3 Mn1 O7 4_475 . 93.65(4) ?
    O1 Mn1 O7 . . 87.44(4) ?
    O10 Mn1 O7 . . 91.00(5) ?
    O8 Mn1 O7 1_655 . 178.89(5) ?
    O2 C1 O1 . . 125.37(12) ?
    O2 C1 C2 . . 117.52(12) ?
    O1 C1 C2 . . 117.09(12) ?
    C3 C2 C4 . . 119.54(12) ?
    C3 C2 C1 . . 120.53(12) ?
    C4 C2 C1 . . 119.90(12) ?
    C5 C3 C2 . . 121.77(13) ?
    C5 C3 H3A . . 119.1 ?
    C2 C3 H3A . . 119.1 ?
    C6 C4 C2 . . 117.96(12) ?
    C6 C4 H4A . . 121.0 ?
    C2 C4 H4A . . 121.0 ?
    C7 C5 C3 . . 119.08(13) ?
    C7 C5 H5A . . 120.5 ?
    C3 C5 H5A . . 120.5 ?
    C4 C6 C7 . . 123.13(12) ?
    C4 C6 S1 . . 126.50(11) ?
    C7 C6 S1 . . 110.38(10) ?
    C5 C7 C6 . . 118.52(12) ?
    C5 C7 C8 . . 128.45(12) ?
    C6 C7 C8 . . 113.03(12) ?
    C9 C8 C10 . . 118.68(12) ?
    C9 C8 C7 . . 128.49(12) ?
    C10 C8 C7 . . 112.83(12) ?
    C8 C9 C11 . . 118.95(12) ?
    C8 C9 H9A . . 120.5 ?
    C11 C9 H9A . . 120.5 ?
    C12 C10 C8 . . 123.32(12) ?
    C12 C10 S1 . . 126.02(11) ?
    C8 C10 S1 . . 110.64(10) ?
    C9 C11 C13 . . 121.50(12) ?
    C9 C11 H11A . . 119.2 ?
    C13 C11 H11A . . 119.2 ?
    C10 C12 C13 . . 117.59(12) ?
    C10 C12 H12A . . 121.2 ?
    C13 C12 H12A . . 121.2 ?
    C11 C13 C12 . . 119.96(12) ?
    C11 C13 C14 . . 121.20(12) ?
    C12 C13 C14 . . 118.82(12) ?
    O4 C14 O3 . . 125.06(12) ?
    O4 C14 C13 . . 119.06(12) ?
    O3 C14 C13 . . 115.87(12) ?
    C1 O1 Mn1 . . 132.45(9) ?
    C14 O3 Mn1 . 4_676 131.98(9) ?
    O5 S1 O6 . . 117.10(8) ?
    O5 S1 C10 . . 112.10(7) ?
    O6 S1 C10 . . 110.15(7) ?
    O5 S1 C6 . . 110.96(7) ?
    O6 S1 C6 . . 110.93(7) ?
    C10 S1 C6 . . 93.06(6) ?
    O7 C15 C16 . . 112.28(13) ?
    O7 C15 H15A . . 109.1 ?
    C16 C15 H15A . . 109.1 ?
    O7 C15 H15B . . 109.1 ?
    C16 C15 H15B . . 109.1 ?
    H15A C15 H15B . . 107.9 ?
    O8 C16 C15 . . 110.22(14) ?
    O8 C16 H16A . . 109.6 ?
    C15 C16 H16A . . 109.6 ?
    O8 C16 H16B . . 109.6 ?
    C15 C16 H16B . . 109.6 ?
    H16A C16 H16B . . 108.1 ?
    C15 O7 Mn1 . . 125.99(10) ?
    C15 O7 H7 . . 108.4(15) ?
    Mn1 O7 H7 . . 109.7(16) ?
    C16 O8 Mn1 . 1_455 125.51(10) ?
    C16 O8 H8 . . 107.4(16) ?
    Mn1 O8 H8 1_455 . 123.9(16) ?
    Mn1 O9 H9C . . 134.6(16) ?
    Mn1 O9 H9B . . 111.1(16) ?
    H9C O9 H9B . . 113(2) ?
    Mn1 O10 H10C . . 125.2(17) ?
    Mn1 O10 H10B . . 102(2) ?
    H10C O10 H10B . . 106(2) ?
    C18 C17 H17A . . 109.5 ?
    C18 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    C18 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    O11 C18 N1 . . 121.38(16) ?
    O11 C18 C17 . . 118.61(18) ?
    N1 C18 C17 . . 120.01(18) ?
    N1 C19 H19A . . 109.5 ?
    N1 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    N1 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    N1 C20 H20A . . 109.5 ?
    N1 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    N1 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    C18 N1 C19 . . 120.01(16) ?
    C18 N1 C20 . . 124.28(18) ?
    C19 N1 C20 . . 115.66(19) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O7 H7 O4 3_676 0.84(2) 1.83(2) 2.6623(16) 175(2)
    O8 H8 O2 2_545 0.818(16) 1.879(16) 2.6865(16) 169(2)
    O9 H9C O11 . 0.827(15) 1.889(16) 2.7086(17) 171(2)
    O9 H9B O2 . 0.827(15) 1.837(16) 2.6135(16) 156(2)
    O10 H10C O11 2_545 0.83(3) 1.96(3) 2.7877(19) 172(2)
    O10 H10B O4 4_475 0.82(3) 1.98(3) 2.7663(16) 161(3)
data_global
_journal_date_recd_electronic     2010-10-22
_journal_date_accepted     2010-11-05
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue     12
_journal_page_first     m1554
_journal_page_last     m1554
_journal_paper_category     QM
_journal_coeditor_code     FK2028
_publ_contact_author_name     'En-Qing Gao'
_publ_contact_author_address
;
Shanghai Key Laboratory of GreenChemistry and Chemical Processes,
Department of Chemistry,
East China Normal University,
Shanghai 200062, People's Republic of China
;
_publ_contact_author_email     'eqgao@chem.ecnu.edu.cn'
_publ_contact_author_fax     '+86-21-62233404'
_publ_contact_author_phone     '+86-21-62233404'
_publ_section_title
;\
Poly[[diaqua(μ₂-5,5-dioxodibenzo[b,d]thiophene-3,7-\
dicarboxylato)(μ₂-ethylene glycol)manganese(II)] dimethylacetamide
solvate]
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Yi, Xiu-Chun' .
;
Shanghai Key Laboratory of Green Chemistry and Chemical Processes,
Department of Chemistry,
East China Normal University,
Shanghai 200062, People's Republic of China
;
    'Yan, Li' .
;
Shanghai Key Laboratory of Green Chemistry and Chemical Processes,
Department of Chemistry,
East China Normal University,
Shanghai 200062, People's Republic of China
;
    'Gao, En-Qing' .
;
Shanghai Key Laboratory of Green Chemistry and Chemical Processes,
Department of Chemistry,
East China Normal University,
Shanghai 200062, People's Republic of China
;
