##############################################################################
###                                                                        ###
###        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 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
catena-Poly[hexamethylenediaminium
[ferrate(III)-μ-hydroxo-κ²O:O-di-μ-sulfato-κ⁴O:O'] monohydrate]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C6 H18 N2 2+, Fe O9 S2 2-, H2 O'
_chemical_formula_sum     'C6 H21 Fe N2 O10 S2'
_chemical_formula_iupac     '(C6 H18 N2) [Fe (O H) (S O4)2], H2 O'
_chemical_formula_weight     401.22
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    'x+1/2, -y+1/2, z+1/2'
    '-x, -y, -z'
    '-x-1/2, y-1/2, -z-1/2'
_cell_length_a     8.7918(7)
_cell_length_b     6.9963(5)
_cell_length_c     25.0320(10)
_cell_angle_alpha     90.00
_cell_angle_beta     90.289(2)
_cell_angle_gamma     90.00
_cell_volume     1539.68(18)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     2196
_cell_measurement_theta_min     2.5
_cell_measurement_theta_max     28.3
_cell_measurement_temperature     295(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     Colorless
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.12
_exptl_crystal_size_min     0.12
_exptl_crystal_density_diffrn     1.731
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     836
_exptl_absorpt_coefficient_mu     1.299
_exptl_absorpt_correction_type     Multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2002)'
_exptl_absorpt_correction_T_min     0.640
_exptl_absorpt_correction_T_max     0.860
_diffrn_ambient_temperature     295(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 APEX area-detector diffractometer'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     8058
_diffrn_reflns_av_R_equivalents     0.027
_diffrn_reflns_av_sigmaI/netI     0.040
_diffrn_reflns_theta_min     1.6
_diffrn_reflns_theta_max     27.5
_diffrn_reflns_theta_full     27.5
_diffrn_measured_fraction_theta_max     0.97
_diffrn_measured_fraction_theta_full     0.97
_diffrn_reflns_limit_h_min     -4
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -8
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_l_min     -31
_diffrn_reflns_limit_l_max     32
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_reflns_number_total     3439
_reflns_number_gt     2483
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.053
_refine_ls_R_factor_gt     0.035
_refine_ls_wR_factor_gt     0.091
_refine_ls_wR_factor_ref     0.100
_refine_ls_goodness_of_fit_ref     0.994
_refine_ls_restrained_S_all     0.995
_refine_ls_number_reflns     3439
_refine_ls_number_parameters     205
_refine_ls_number_restraints     3
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0548P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.34
_refine_diff_density_min     -0.43
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'Fe' 'Fe' 0.3463 0.8444
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2002)'
_computing_cell_refinement     'SAINT (Bruker, 2002)'
_computing_data_reduction     SAINT
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEPII (Johnson, 1976)'
_computing_publication_material     SHELXL97
loop_
    _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
    _atom_site_type_symbol
    Fe1 0.5000 0.5000 0.5000 0.01567(13) Uani d S 1 . . Fe
    Fe2 0.5000 1.0000 0.5000 0.01611(14) Uani d S 1 . . Fe
    S1 0.31767(7) 0.74565(8) 0.58885(2) 0.0196(2) Uani d . 1 . . S
    S2 0.26738(7) 0.76189(8) 0.42675(3) 0.0203(2) Uani d . 1 . . S
    O1 0.4009(2) 0.5741(2) 0.56910(10)
                                     0.0300(4) Uani d . 1 . . O
    O2 0.3330(2) 0.9034(2) 0.54880(10)
                                     0.0218(4) Uani d . 1 . . O
    O3 0.1584(2) 0.6972(3) 0.59430(10)
                                     0.0389(5) Uani d . 1 . . O
    O4 0.3861(2) 0.8025(3) 0.63880(10)
                                     0.0367(5) Uani d . 1 . . O
    O5 0.3757(2) 0.9234(2) 0.43480(10)
                                     0.0218(4) Uani d . 1 . . O
    O6 0.3203(2) 0.5956(2) 0.45840(10)
                                     0.0260(4) Uani d . 1 . . O
    O7 0.2613(3) 0.7110(3) 0.37070(10)
                                     0.0413(6) Uani d . 1 . . O
    O8 0.1185(2) 0.8191(3) 0.44640(10)
                                     0.0367(5) Uani d . 1 . . O
    O9 0.6005(2) 0.7503(2) 0.49770(10)
                                     0.0183(4) Uani d D 1 . . O
    O1w 0.8812(2) 0.7911(3) 0.54300(10)
                                      0.0433(6) Uani d D 1 . . O
    N1 0.6995(3) 0.6999(3) 0.63670(10)
                                     0.0378(6) Uani d . 1 . . N
    N2 1.3338(3) 0.7646(3) 0.90490(10)
                                     0.0309(6) Uani d . 1 . . N
    C1 0.7605(4) 0.7846(4) 0.68640(10)
                                     0.0382(7) Uani d . 1 . . C
    C2 0.9144(3) 0.7019(4) 0.70100(10)
                                     0.0372(7) Uani d . 1 . . C
    C3 0.9737(4) 0.7884(4) 0.75240(10)
                                     0.0416(8) Uani d . 1 . . C
    C4 1.1260(4) 0.7073(4) 0.77130(10)
                                     0.0377(7) Uani d . 1 . . C
    C5 1.1650(4) 0.7815(4) 0.82660(10)
                                     0.0375(7) Uani d . 1 . . C
    C6 1.3173(3) 0.7146(4) 0.84730(10)
                                     0.0299(6) Uani d . 1 . . C
    H9o 0.685(2) 0.752(3) 0.5120(10)
                                   0.030(10)
                                           Uiso d D 1 . . H
    H1w1 0.965(2) 0.737(4) 0.548(2) 0.070(10)
                                            Uiso d D 1 . . H
    H1w2 0.901(4) 0.909(2) 0.5440(10)
                                    0.080(10)
                                            Uiso d D 1 . . H
    H1n1 0.6124 0.7498 0.6295 0.045 Uiso calc R 1 . . H
    H1n2 0.6894 0.5785 0.6408 0.045 Uiso calc R 1 . . H
    H1n3 0.7612 0.7221 0.6109 0.045 Uiso calc R 1 . . H
    H2n1 1.4206 0.7253 0.9165 0.037 Uiso calc R 1 . . H
    H2n2 1.2624 0.7107 0.9228 0.037 Uiso calc R 1 . . H
    H2n3 1.3280 0.8865 0.9087 0.037 Uiso calc R 1 . . H
    H1a 0.6899 0.7611 0.7154 0.046 Uiso calc R 1 . . H
    H1b 0.7697 0.9218 0.6820 0.046 Uiso calc R 1 . . H
    H2a 0.9857 0.7272 0.6724 0.045 Uiso calc R 1 . . H
    H2b 0.9057 0.5645 0.7051 0.045 Uiso calc R 1 . . H
    H3a 0.8990 0.7681 0.7802 0.050 Uiso calc R 1 . . H
    H3b 0.9845 0.9253 0.7475 0.050 Uiso calc R 1 . . H
    H4a 1.1207 0.5688 0.7720 0.045 Uiso calc R 1 . . H
    H4b 1.2052 0.7439 0.7464 0.045 Uiso calc R 1 . . H
    H5a 1.1644 0.9202 0.8258 0.045 Uiso calc R 1 . . H
    H5b 1.0867 0.7407 0.8513 0.045 Uiso calc R 1 . . H
    H6a 1.3258 0.5773 0.8429 0.036 Uiso calc R 1 . . H
    H6b 1.3981 0.7747 0.8271 0.036 Uiso calc R 1 . . H
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
    Fe1 0.0163(3) 0.0102(2) 0.0205(3) 0.0004(2) -0.0015(2) 0.0000(2)
    Fe2 0.0147(3) 0.0104(2) 0.0233(3) -0.0002(2) -0.0021(2) 0.0002(2)
    S1 0.0191(3) 0.0163(3) 0.0234(3) 0.0009(3) 0.0026(2) 0.0003(2)
    S2 0.0192(3) 0.0153(3) 0.0263(3) 0.0005(2) -0.0087(3) -0.0002(2)
    O1 0.0450(10)
                0.0180(10)
                         0.0270(10)
                                  0.0090(10)
                                           0.0130(10)
                                                    0.0040(10)
    O2 0.0200(10)
                0.0170(10)
                         0.0290(10)
                                  0.0020(10)
                                           0.0050(10)
                                                    0.0040(10)
    O3 0.0190(10)
                0.0410(10)
                         0.0570(10)
                                  -0.0040(10)
                                            0.0060(10)
                                                     0.0170(10)
    O4 0.0510(10)
                0.0330(10)
                         0.0270(10)
                                  0.0010(10)
                                           -0.0060(10)
                                                     -0.0040(10)
    O5 0.0230(10)
                0.0160(10)
                         0.0270(10)
                                  -0.0030(10)
                                            -0.0070(10)
                                                      0.0010(10)
    O6 0.0230(10)
                0.0170(10)
                         0.0380(10)
                                  -0.0020(10)
                                            -0.0120(10)
                                                      0.0050(10)
    O7 0.064(2) 0.0340(10)
                         0.0260(10)
                                  -0.0100(10)
                                            -0.0150(10)
                                                      -0.0050(10)
    O8 0.0170(10)
                0.0270(10)
                         0.0660(10)
                                  0.0020(10)
                                           -0.0060(10)
                                                     -0.0060(10)
    O9 0.0140(10)
                0.0120(10)
                         0.0290(10)
                                  0.0000(10)
                                           -0.0050(10)
                                                     0.0000(10)
    O1w 0.0240(10)
                 0.0260(10)
                          0.080(2) 0.0010(10)
                                            -0.0120(10)
                                                      -0.0040(10)
    N1 0.042(2) 0.0340(10)
                         0.0370(10)
                                  0.0030(10)
                                           -0.0120(10)
                                                     -0.0050(10)
    N2 0.0270(10)
                0.0360(10)
                         0.0300(10)
                                  0.0070(10)
                                           -0.0070(10)
                                                     0.0000(10)
    C1 0.041(2) 0.039(2) 0.034(2) 0.0040(10)
                                           -0.0120(10)
                                                     -0.0100(10)
    C2 0.036(2) 0.046(2) 0.030(2) 0.0030(10)
                                           -0.0080(10)
                                                     -0.0070(10)
    C3 0.041(2) 0.053(2) 0.031(2) 0.006(2) -0.0100(10)
                                                     -0.0100(10)
    C4 0.039(2) 0.043(2) 0.031(2) 0.0030(10)
                                           -0.0040(10)
                                                     -0.0040(10)
    C5 0.037(2) 0.042(2) 0.034(2) 0.0080(10)
                                           -0.0090(10)
                                                     -0.0060(10)
    C6 0.028(2) 0.032(2) 0.029(2) -0.0020(10)
                                            -0.0010(10)
                                                      -0.0020(10)
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
    Fe1 O1 . 2.008(2) yes
    Fe1 O1 3_666 2.008(2) no
    Fe1 O6 . 2.003(2) yes
    Fe1 O6 3_666 2.003(2) no
    Fe1 O9 . 1.962(2) yes
    Fe1 O9 3_666 1.962(2) no
    Fe2 O2 . 2.030(2) yes
    Fe2 O2 3_676 2.030(2) no
    Fe2 O5 . 2.031(2) yes
    Fe2 O5 3_676 2.031(2) no
    Fe2 O9 . 1.959(2) yes
    Fe2 O9 3_676 1.959(2) no
    S1 O1 . 1.492(2) no
    S1 O2 . 1.498(2) no
    S1 O3 . 1.448(2) no
    S1 O4 . 1.440(2) no
    S2 O7 . 1.449(2) no
    S2 O8 . 1.457(2) no
    S2 O5 . 1.491(2) no
    S2 O6 . 1.481(2) no
    N1 C1 . 1.477(3) no
    N2 C6 . 1.490(3) no
    C1 C2 . 1.514(4) no
    C2 C3 . 1.514(4) no
    C3 C4 . 1.527(4) no
    C4 C5 . 1.517(4) no
    C5 C6 . 1.508(4) no
    O9 H9o . 0.830(10)
                     no
    O1w H1w1 . 0.840(10)
                       no
    O1w H1w2 . 0.840(10)
                       no
    N1 H1n1 . 0.86 no
    N1 H1n2 . 0.86 no
    N1 H1n3 . 0.86 no
    N2 H2n1 . 0.86 no
    N2 H2n2 . 0.86 no
    N2 H2n3 . 0.86 no
    C1 H1a . 0.97 no
    C1 H1b . 0.97 no
    C2 H2a . 0.97 no
    C2 H2b . 0.97 no
    C3 H3a . 0.97 no
    C3 H3b . 0.97 no
    C4 H4a . 0.97 no
    C4 H4b . 0.97 no
    C5 H5a . 0.97 no
    C5 H5b . 0.97 no
    C6 H6a . 0.97 no
    C6 H6b . 0.97 no
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
    O1 Fe1 O1 . 3_666 180 yes
    O1 Fe1 O6 . . 90.98(7) yes
    O1 Fe1 O6 . 3_666 89.02(7) yes
    O1 Fe1 O9 . . 89.58(7) yes
    O1 Fe1 O9 . 3_666 90.42(7) yes
    O1 Fe1 O6 3_666 . 89.02(7) no
    O1 Fe1 O6 3_666 3_666 90.98(7) no
    O1 Fe1 O9 3_666 . 90.42(7) no
    O1 Fe1 O9 3_666 3_666 89.58(7) no
    O6 Fe1 O6 . 3_666 180 yes
    O6 Fe1 O9 . . 92.32(7) yes
    O6 Fe1 O9 . 3_666 87.68(7) yes
    O6 Fe1 O9 3_666 . 87.68(7) no
    O9 Fe1 O6 3_666 3_666 92.32(7) no
    O9 Fe1 O9 . 3_666 180 yes
    O2 Fe2 O2 . 3_676 180 yes
    O2 Fe2 O5 . . 90.43(7) yes
    O2 Fe2 O5 . 3_676 89.57(6) yes
    O2 Fe2 O9 . . 92.79(7) yes
    O2 Fe2 O9 . 3_676 87.21(7) yes
    O2 Fe2 O5 3_676 . 89.57(6) no
    O2 Fe2 O5 3_676 3_676 90.43(7) no
    O2 Fe2 O9 3_676 . 87.20(7) no
    O2 Fe2 O9 3_676 3_676 92.79(7) no
    O5 Fe2 O5 . 3_676 180 yes
    O5 Fe2 O9 . . 88.95(7) yes
    O5 Fe2 O9 . 3_676 91.05(7) yes
    O5 Fe2 O9 3_676 . 91.05(7) no
    O5 Fe2 O9 3_676 3_676 88.95(7) no
    O9 Fe2 O9 . 3_676 180 yes
    O4 S1 O3 . . 112.50(10)
                          no
    O4 S1 O1 . . 107.90(10)
                          no
    O3 S1 O1 . . 108.60(10)
                          no
    O4 S1 O2 . . 109.80(10)
                          no
    O3 S1 O2 . . 109.00(10)
                          no
    O1 S1 O2 . . 108.90(10)
                          no
    O7 S2 O8 . . 111.50(10)
                          no
    O7 S2 O6 . . 109.60(10)
                          no
    O8 S2 O6 . . 108.40(10)
                          no
    O7 S2 O5 . . 109.80(10)
                          no
    O8 S2 O5 . . 108.70(10)
                          no
    O6 S2 O5 . . 108.90(10)
                          no
    S1 O1 Fe1 . . 135.20(10)
                           no
    S1 O2 Fe2 . . 135.70(10)
                           no
    S2 O5 Fe2 . . 130.50(10)
                           no
    S2 O6 Fe1 . . 141.80(10)
                           no
    Fe2 O9 Fe1 . . 126.29(9) no
    N1 C1 C2 . . 111.7(2) no
    C1 C2 C3 . . 110.8(2) no
    C2 C3 C4 . . 114.3(3) no
    C5 C4 C3 . . 110.4(2) no
    C6 C5 C4 . . 113.8(2) no
    N2 C6 C5 . . 110.0(2) no
    Fe2 O9 H9o . . 113(2) no
    Fe1 O9 H9o . . 114(2) no
    H1w1 O1w H1w2 . . 105(3) no
    C1 N1 H1n1 . . 109.5 no
    C1 N1 H1n2 . . 109.5 no
    H1n1 N1 H1n2 . . 109.5 no
    C1 N1 H1n3 . . 109.5 no
    H1n1 N1 H1n3 . . 109.5 no
    H1n2 N1 H1n3 . . 109.5 no
    C6 N2 H2n1 . . 109.5 no
    C6 N2 H2n2 . . 109.5 no
    H2n1 N2 H2n2 . . 109.5 no
    C6 N2 H2n3 . . 109.5 no
    H2n1 N2 H2n3 . . 109.5 no
    H2n2 N2 H2n3 . . 109.5 no
    N1 C1 H1a . . 109.3 no
    C2 C1 H1a . . 109.3 no
    N1 C1 H1b . . 109.3 no
    C2 C1 H1b . . 109.3 no
    H1a C1 H1b . . 107.9 no
    C1 C2 H2a . . 109.5 no
    C3 C2 H2a . . 109.5 no
    C1 C2 H2b . . 109.5 no
    C3 C2 H2b . . 109.5 no
    H2a C2 H2b . . 108.1 no
    C2 C3 H3a . . 108.7 no
    C4 C3 H3a . . 108.7 no
    C2 C3 H3b . . 108.7 no
    C4 C3 H3b . . 108.7 no
    H3a C3 H3b . . 107.6 no
    C5 C4 H4a . . 109.6 no
    C3 C4 H4a . . 109.6 no
    C5 C4 H4b . . 109.6 no
    C3 C4 H4b . . 109.6 no
    H4a C4 H4b . . 108.1 no
    C6 C5 H5a . . 108.8 no
    C4 C5 H5a . . 108.8 no
    C6 C5 H5b . . 108.8 no
    C4 C5 H5b . . 108.8 no
    H5a C5 H5b . . 107.7 no
    N2 C6 H6a . . 109.7 no
    C5 C6 H6a . . 109.7 no
    N2 C6 H6b . . 109.7 no
    C5 C6 H6b . . 109.7 no
    H6a C6 H6b . . 108.2 no
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    O4 S1 O1 Fe1 . . . . -128.7(2) no
    O3 S1 O1 Fe1 . . . . 109.0(2) no
    O2 S1 O1 Fe1 . . . . -9.6(2) no
    O9 Fe1 O1 S1 3_666 . . . -133.0(2) no
    O9 Fe1 O1 S1 . . . . 47.0(2) no
    O6 Fe1 O1 S1 3_666 . . . 134.7(2) no
    O6 Fe1 O1 S1 . . . . -45.3(2) no
    O4 S1 O2 Fe2 . . . . 80.2(2) no
    O3 S1 O2 Fe2 . . . . -156.2(2) no
    O1 S1 O2 Fe2 . . . . -37.8(2) no
    O9 Fe2 O2 S1 3_676 . . . -154.6(2) no
    O9 Fe2 O2 S1 . . . . 25.4(2) no
    O5 Fe2 O2 S1 3_676 . . . -65.7(2) no
    O5 Fe2 O2 S1 . . . . 114.3(2) no
    O7 S2 O5 Fe2 . . . . -153.50(10)
                                   no
    O8 S2 O5 Fe2 . . . . 84.3(2) no
    O6 S2 O5 Fe2 . . . . -33.5(2) no
    O9 Fe2 O5 S2 3_676 . . . -120.10(10)
                                       no
    O9 Fe2 O5 S2 . . . . 60.00(10)
                                 no
    O2 Fe2 O5 S2 . . . . -32.80(10)
                                  no
    O2 Fe2 O5 S2 3_676 . . . 147.20(10)
                                      no
    O7 S2 O6 Fe1 . . . . 108.4(2) no
    O8 S2 O6 Fe1 . . . . -129.8(2) no
    O5 S2 O6 Fe1 . . . . -11.7(2) no
    O9 Fe1 O6 S2 3_666 . . . -169.6(2) no
    O9 Fe1 O6 S2 . . . . 10.4(2) no
    O1 Fe1 O6 S2 . . . . 100.0(2) no
    O1 Fe1 O6 S2 3_666 . . . -80.0(2) no
    O2 Fe2 O9 Fe1 . . . . 33.60(10)
                                  no
    O2 Fe2 O9 Fe1 3_676 . . . -146.40(10)
                                        no
    O5 Fe2 O9 Fe1 3_676 . . . 123.20(10)
                                       no
    O5 Fe2 O9 Fe1 . . . . -56.80(10)
                                   no
    O6 Fe1 O9 Fe2 3_666 . . . -145.20(10)
                                        no
    O6 Fe1 O9 Fe2 . . . . 34.90(10)
                                  no
    O1 Fe1 O9 Fe2 . . . . -56.10(10)
                                   no
    O1 Fe1 O9 Fe2 3_666 . . . 123.90(10)
                                       no
    N1 C1 C2 C3 . . . . -179.2(3) no
    C1 C2 C3 C4 . . . . 177.7(3) no
    C2 C3 C4 C5 . . . . -172.0(3) no
    C3 C4 C5 C6 . . . . -177.6(3) no
    C4 C5 C6 N2 . . . . -169.9(2) no
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
    _geom_hbond_publ_flag
    O9 H9o O1w . 0.830(10)
                         1.910(10)
                                 2.726(3) 172(2) yes
    O1w H1w1 O3 1_655 0.840(10)
                              2.07(2) 2.826(3) 150(3) yes
    O1w H1w2 O8 3_676 0.840(10)
                              1.93(2) 2.740(3) 162(4) yes
    N1 H1n1 O4 . 0.86 2.04 2.848(3) 157 yes
    N1 H1n2 O7 3_666 0.86 2.09 2.902(3) 157 yes
    N1 H1n3 O1w . 0.86 2.06 2.916(4) 171 yes
    N2 H2n1 O8 2_665 0.86 1.92 2.767(3) 170 yes
    N2 H2n2 O9 2_565 0.86 2.37 3.107(3) 143 yes
    N2 H2n3 O3 4_767 0.86 2.18 3.028(3) 169 yes
data_global
_journal_date_recd_electronic     2005-02-15
_journal_date_accepted     2005-02-17
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue      3
_journal_page_first     m596
_journal_page_last     m597
_journal_paper_category     EM
_publ_contact_author_name     'Ng, Seik Weng'
_publ_contact_author_address
;
      Department of Chemistry
      University of Malaya
      50603 Kuala Lumpur
      Malaysia
;
_publ_contact_author_email     seikweng@um.edu.my
_publ_contact_author_fax     603-7967-6778
_publ_contact_author_phone     603-7967-6778
_publ_section_title
;
catena-Poly[hexamethylenediaminium
[ferrate(III)-μ-hydroxo-κ²O:O-di-μ-sulfato-κ⁴O:\
O'] monohydrate]
;
loop_
    _publ_author_name
    _publ_author_address
    'Fu, Yun-Long'
;    School of Chemistry and Materials Science
     Shanxi Normal University
     Linfen 041004
     People's Republic of China
;
    'Xu, Zhi-Wei'
;    School of Chemistry and Materials Science
     Shanxi Normal University
     Linfen 041004
     People's Republic of China
;
    'Ren, Jia-Lin'
;    School of Chemistry and Materials Science
     Shanxi Normal University
     Linfen 041004
     People's Republic of China
;
    'Ng, Seik Weng'
;
     Department of Chemistry
     University of Malaya
     50603 Kuala Lumpur
     Malaysia
;
