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###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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/  #
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#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis[tris(3-isopropylpyrazolyl)methanesulfonato]manganese(II)
dichloromethane disolvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C38 H54 Mn N12 O6 S2, 2C H2 Cl2'
_chemical_formula_sum     'C40 H58 Cl4 Mn N12 O6 S2'
_chemical_formula_iupac     '[Mn (C19 H27 N6 O3 S1)2], 2C H2 Cl2'
_chemical_formula_weight     1063.84
_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     10.437(6)
_cell_length_b     21.860(8)
_cell_length_c     11.341(6)
_cell_angle_alpha     90.00
_cell_angle_beta     108.626(7)
_cell_angle_gamma     90.00
_cell_volume     2452(2)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     994
_cell_measurement_theta_min     2.66
_cell_measurement_theta_max     24.31
_cell_measurement_temperature     120(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.20
_exptl_crystal_size_mid     0.10
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     1.441
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1110
_exptl_absorpt_coefficient_mu     0.630
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2003)'
_exptl_absorpt_correction_T_min     0.8844
_exptl_absorpt_correction_T_max     0.9692
_exptl_special_details
;
Data collection is performed with four batch runs at
φ = 0.00 ° (600 frames), at φ = 90.00 °
(600 frames), at φ = 180 ° (600 frames) and
at φ = 270 ° (600 frames).
Frame width = 0.30 \& in ω. Data is
merged, corrected for decay, and treated with
multi-scan absorption corrections.
;
_diffrn_ambient_temperature     120(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'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     835.6
_diffrn_reflns_number     11367
_diffrn_reflns_av_R_equivalents     0.0919
_diffrn_reflns_av_sigmaI/netI     0.1088
_diffrn_reflns_theta_min     1.86
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.993
_diffrn_measured_fraction_theta_full     0.993
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -25
_diffrn_reflns_limit_k_max     25
_diffrn_reflns_limit_l_min     -13
_diffrn_reflns_limit_l_max     13
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     1
_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 > 2sigma(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     4285
_reflns_number_gt     3243
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0940
_refine_ls_R_factor_gt     0.0763
_refine_ls_wR_factor_gt     0.1916
_refine_ls_wR_factor_ref     0.2092
_refine_ls_goodness_of_fit_ref     1.050
_refine_ls_restrained_S_all     1.050
_refine_ls_number_reflns     4285
_refine_ls_number_parameters     301
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.1003P)²+2.0495P] 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     0.002
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.644
_refine_diff_density_min     -1.106
_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'
    'Mn' 'Mn' 0.3368 0.7283
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         '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     'SHELXTL, Sheldrick (2001)'
_computing_publication_material     'SHELXTL'
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 Mn 0.0000 0.0000 0.0000 0.0141(3) Uani d S 1 . .
    S S1 -0.08215(12) -0.00068(5) 0.25618(9) 0.0168(3) Uani d . 1 . .
    O O1 -0.0261(3) 0.02936(13) 0.1691(3) 0.0184(7) Uani d . 1 . .
    O O2 0.0191(3) -0.01686(15) 0.3710(3) 0.0220(8) Uani d . 1 . .
    O O3 -0.2020(3) 0.02863(15) 0.2642(3) 0.0238(8) Uani d . 1 . .
    N N1 -0.2124(4) -0.03593(15) -0.0369(3) 0.0142(8) Uani d . 1 . .
    N N2 -0.2463(4) -0.06339(16) 0.0575(3) 0.0140(8) Uani d . 1 . .
    N N3 0.0378(3) -0.09350(16) 0.0876(3) 0.0145(8) Uani d . 1 . .
    N N4 -0.0332(4) -0.11151(16) 0.1651(3) 0.0143(8) Uani d . 1 . .
    N N5 -0.2617(4) -0.16620(17) 0.2121(3) 0.0212(9) Uani d . 1 . .
    N N6 -0.2076(4) -0.10980(16) 0.2547(3) 0.0161(8) Uani d . 1 . .
    C C1 -0.1458(4) -0.07549(19) 0.1790(4) 0.0148(9) Uani d . 1 . .
    C C2 -0.3280(4) -0.02938(19) -0.1301(4) 0.0150(9) Uani d . 1 . .
    C C3 -0.4367(5) -0.0514(2) -0.0953(4) 0.0193(10) Uani d . 1 . .
    H H3A -0.5293 -0.0523 -0.1447 0.023 Uiso calc R 1 . .
    C C4 -0.3818(4) -0.0712(2) 0.0245(4) 0.0188(10) Uani d . 1 . .
    H H4A -0.4300 -0.0875 0.0755 0.023 Uiso calc R 1 . .
    C C5 -0.3289(5) -0.0036(2) -0.2544(4) 0.0214(11) Uani d . 1 . .
    H H5A -0.2561 0.0280 -0.2393 0.026 Uiso calc R 1 . .
    C C6 -0.3004(5) -0.0540(2) -0.3356(4) 0.0279(12) Uani d . 1 . .
    H H6A -0.2117 -0.0721 -0.2934 0.042 Uiso calc R 1 . .
    H H6B -0.3010 -0.0366 -0.4154 0.042 Uiso calc R 1 . .
    H H6C -0.3703 -0.0856 -0.3501 0.042 Uiso calc R 1 . .
    C C7 -0.4650(5) 0.0268(2) -0.3206(4) 0.0299(12) Uani d . 1 . .
    H H7A -0.4834 0.0581 -0.2663 0.045 Uiso calc R 1 . .
    H H7B -0.5367 -0.0041 -0.3399 0.045 Uiso calc R 1 . .
    H H7C -0.4619 0.0458 -0.3979 0.045 Uiso calc R 1 . .
    C C8 0.1312(4) -0.13703(19) 0.0981(4) 0.0160(10) Uani d . 1 . .
    C C9 0.1240(5) -0.1812(2) 0.1858(4) 0.0205(10) Uani d . 1 . .
    H H9A 0.1802 -0.2161 0.2117 0.025 Uiso calc R 1 . .
    C C10 0.0193(5) -0.1636(2) 0.2259(4) 0.0179(10) Uani d . 1 . .
    H H10A -0.0111 -0.1842 0.2858 0.022 Uiso calc R 1 . .
    C C11 0.2227(5) -0.1366(2) 0.0192(4) 0.0206(10) Uani d . 1 . .
    H H11A 0.2422 -0.0931 0.0032 0.025 Uiso calc R 1 . .
    C C12 0.1527(5) -0.1677(2) -0.1055(4) 0.0264(11) Uani d . 1 . .
    H H12A 0.0674 -0.1467 -0.1476 0.040 Uiso calc R 1 . .
    H H12B 0.1343 -0.2106 -0.0911 0.040 Uiso calc R 1 . .
    H H12C 0.2115 -0.1659 -0.1577 0.040 Uiso calc R 1 . .
    C C13 0.3557(5) -0.1684(2) 0.0858(5) 0.0283(12) Uani d . 1 . .
    H H13A 0.4001 -0.1478 0.1650 0.042 Uiso calc R 1 . .
    H H13B 0.4146 -0.1669 0.0337 0.042 Uiso calc R 1 . .
    H H13C 0.3382 -0.2112 0.1016 0.042 Uiso calc R 1 . .
    C C14 -0.2936(5) -0.1904(2) 0.3065(4) 0.0177(10) Uani d . 1 . .
    C C15 -0.2621(5) -0.1496(2) 0.4085(4) 0.0259(11) Uani d . 1 . .
    H H15A -0.2781 -0.1560 0.4855 0.031 Uiso calc R 1 . .
    C C16 -0.2045(5) -0.0996(2) 0.3751(4) 0.0207(10) Uani d . 1 . .
    H H16A -0.1692 -0.0647 0.4248 0.025 Uiso calc R 1 . .
    C C17 -0.3467(5) -0.2546(2) 0.2996(4) 0.0228(11) Uani d . 1 . .
    H H17A -0.3918 -0.2650 0.2101 0.027 Uiso calc R 1 . .
    C C18 -0.2275(6) -0.2978(3) 0.3514(6) 0.0473(16) Uani d . 1 . .
    H H18A -0.1649 -0.2934 0.3034 0.071 Uiso calc R 1 . .
    H H18B -0.2603 -0.3400 0.3454 0.071 Uiso calc R 1 . .
    H H18C -0.1806 -0.2877 0.4388 0.071 Uiso calc R 1 . .
    C C19 -0.4487(6) -0.2628(3) 0.3676(5) 0.0344(13) Uani d . 1 . .
    H H19A -0.5242 -0.2344 0.3335 0.052 Uiso calc R 1 . .
    H H19B -0.4055 -0.2543 0.4563 0.052 Uiso calc R 1 . .
    H H19C -0.4826 -0.3049 0.3569 0.052 Uiso calc R 1 . .
    C C20 0.7734(6) 0.3825(2) -0.0264(5) 0.0355(13) Uani d . 1 . .
    H H20A 0.7489 0.4138 -0.0929 0.043 Uiso calc R 1 . .
    H H20B 0.8160 0.4036 0.0538 0.043 Uiso calc R 1 . .
    Cl Cl1 0.89005(15) 0.33138(7) -0.05427(12) 0.0411(4) Uani d . 1 . .
    Cl Cl2 0.62625(18) 0.34507(8) -0.0215(2) 0.0694(6) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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
    Mn O1 . 2.121(3) ?
    Mn O1 3 2.121(3) ?
    Mn N3 . 2.252(4) ?
    Mn N3 3 2.252(4) ?
    Mn N1 . 2.261(4) ?
    Mn N1 3 2.261(4) ?
    S1 O3 . 1.434(3) ?
    S1 O2 . 1.434(3) ?
    S1 O1 . 1.455(3) ?
    S1 C1 . 1.873(4) ?
    N1 C2 . 1.334(5) ?
    N1 N2 . 1.369(5) ?
    N2 C4 . 1.353(6) ?
    N2 C1 . 1.466(5) ?
    N3 C8 . 1.340(5) ?
    N3 N4 . 1.376(5) ?
    N4 C10 . 1.353(5) ?
    N4 C1 . 1.464(5) ?
    N5 C14 . 1.328(6) ?
    N5 N6 . 1.378(5) ?
    N6 C16 . 1.373(5) ?
    N6 C1 . 1.439(5) ?
    C2 C3 . 1.399(6) ?
    C2 C5 . 1.515(6) ?
    C3 C4 . 1.366(6) ?
    C3 H3A . 0.9500 ?
    C4 H4A . 0.9500 ?
    C5 C6 . 1.524(7) ?
    C5 C7 . 1.530(7) ?
    C5 H5A . 1.0000 ?
    C6 H6A . 0.9800 ?
    C6 H6B . 0.9800 ?
    C6 H6C . 0.9800 ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C7 H7C . 0.9800 ?
    C8 C9 . 1.405(6) ?
    C8 C11 . 1.503(6) ?
    C9 C10 . 1.367(6) ?
    C9 H9A . 0.9500 ?
    C10 H10A . 0.9500 ?
    C11 C13 . 1.521(6) ?
    C11 C12 . 1.529(6) ?
    C11 H11A . 1.0000 ?
    C12 H12A . 0.9800 ?
    C12 H12B . 0.9800 ?
    C12 H12C . 0.9800 ?
    C13 H13A . 0.9800 ?
    C13 H13B . 0.9800 ?
    C13 H13C . 0.9800 ?
    C14 C15 . 1.413(6) ?
    C14 C17 . 1.503(6) ?
    C15 C16 . 1.359(7) ?
    C15 H15A . 0.9500 ?
    C16 H16A . 0.9500 ?
    C17 C19 . 1.510(7) ?
    C17 C18 . 1.522(7) ?
    C17 H17A . 1.0000 ?
    C18 H18A . 0.9800 ?
    C18 H18B . 0.9800 ?
    C18 H18C . 0.9800 ?
    C19 H19A . 0.9800 ?
    C19 H19B . 0.9800 ?
    C19 H19C . 0.9800 ?
    C20 Cl1 . 1.753(6) ?
    C20 Cl2 . 1.756(6) ?
    C20 H20A . 0.9900 ?
    C20 H20B . 0.9900 ?
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 Mn O1 . 3 180.00(16) ?
    O1 Mn N3 . . 86.02(12) ?
    O1 Mn N3 3 . 93.98(12) ?
    O1 Mn N3 . 3 93.98(12) ?
    O1 Mn N3 3 3 86.02(12) ?
    N3 Mn N3 . 3 180.0(3) ?
    O1 Mn N1 . . 82.60(12) ?
    O1 Mn N1 3 . 97.40(12) ?
    N3 Mn N1 . . 77.86(12) ?
    N3 Mn N1 3 . 102.14(12) ?
    O1 Mn N1 . 3 97.40(12) ?
    O1 Mn N1 3 3 82.60(12) ?
    N3 Mn N1 . 3 102.14(12) ?
    N3 Mn N1 3 3 77.86(12) ?
    N1 Mn N1 . 3 180.00(18) ?
    O3 S1 O2 . . 117.24(19) ?
    O3 S1 O1 . . 112.91(19) ?
    O2 S1 O1 . . 112.8(2) ?
    O3 S1 C1 . . 103.5(2) ?
    O2 S1 C1 . . 104.90(19) ?
    O1 S1 C1 . . 103.68(18) ?
    S1 O1 Mn . . 132.26(18) ?
    C2 N1 N2 . . 105.8(3) ?
    C2 N1 Mn . . 134.0(3) ?
    N2 N1 Mn . . 119.4(2) ?
    C4 N2 N1 . . 110.4(3) ?
    C4 N2 C1 . . 127.5(4) ?
    N1 N2 C1 . . 121.9(3) ?
    C8 N3 N4 . . 105.4(3) ?
    C8 N3 Mn . . 134.7(3) ?
    N4 N3 Mn . . 119.2(3) ?
    C10 N4 N3 . . 110.7(4) ?
    C10 N4 C1 . . 127.3(4) ?
    N3 N4 C1 . . 122.0(3) ?
    C14 N5 N6 . . 104.7(3) ?
    C16 N6 N5 . . 111.8(4) ?
    C16 N6 C1 . . 129.5(4) ?
    N5 N6 C1 . . 118.0(3) ?
    N6 C1 N4 . . 108.2(3) ?
    N6 C1 N2 . . 109.4(3) ?
    N4 C1 N2 . . 110.7(3) ?
    N6 C1 S1 . . 109.6(3) ?
    N4 C1 S1 . . 110.1(3) ?
    N2 C1 S1 . . 108.8(3) ?
    N1 C2 C3 . . 110.4(4) ?
    N1 C2 C5 . . 120.8(4) ?
    C3 C2 C5 . . 128.7(4) ?
    C4 C3 C2 . . 105.6(4) ?
    C4 C3 H3A . . 127.2 ?
    C2 C3 H3A . . 127.2 ?
    N2 C4 C3 . . 107.7(4) ?
    N2 C4 H4A . . 126.1 ?
    C3 C4 H4A . . 126.1 ?
    C2 C5 C6 . . 110.4(4) ?
    C2 C5 C7 . . 110.3(4) ?
    C6 C5 C7 . . 110.3(4) ?
    C2 C5 H5A . . 108.6 ?
    C6 C5 H5A . . 108.6 ?
    C7 C5 H5A . . 108.6 ?
    C5 C6 H6A . . 109.5 ?
    C5 C6 H6B . . 109.5 ?
    H6A C6 H6B . . 109.5 ?
    C5 C6 H6C . . 109.5 ?
    H6A C6 H6C . . 109.5 ?
    H6B C6 H6C . . 109.5 ?
    C5 C7 H7A . . 109.5 ?
    C5 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    C5 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    N3 C8 C9 . . 110.4(4) ?
    N3 C8 C11 . . 121.7(4) ?
    C9 C8 C11 . . 127.8(4) ?
    C10 C9 C8 . . 105.7(4) ?
    C10 C9 H9A . . 127.1 ?
    C8 C9 H9A . . 127.1 ?
    N4 C10 C9 . . 107.7(4) ?
    N4 C10 H10A . . 126.1 ?
    C9 C10 H10A . . 126.1 ?
    C8 C11 C13 . . 110.8(4) ?
    C8 C11 C12 . . 109.9(4) ?
    C13 C11 C12 . . 110.3(4) ?
    C8 C11 H11A . . 108.6 ?
    C13 C11 H11A . . 108.6 ?
    C12 C11 H11A . . 108.6 ?
    C11 C12 H12A . . 109.5 ?
    C11 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C11 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C11 C13 H13A . . 109.5 ?
    C11 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    C11 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    N5 C14 C15 . . 110.9(4) ?
    N5 C14 C17 . . 120.9(4) ?
    C15 C14 C17 . . 128.1(4) ?
    C16 C15 C14 . . 106.7(4) ?
    C16 C15 H15A . . 126.7 ?
    C14 C15 H15A . . 126.7 ?
    C15 C16 N6 . . 105.9(4) ?
    C15 C16 H16A . . 127.0 ?
    N6 C16 H16A . . 127.0 ?
    C14 C17 C19 . . 113.1(4) ?
    C14 C17 C18 . . 108.5(4) ?
    C19 C17 C18 . . 110.6(4) ?
    C14 C17 H17A . . 108.2 ?
    C19 C17 H17A . . 108.2 ?
    C18 C17 H17A . . 108.2 ?
    C17 C18 H18A . . 109.5 ?
    C17 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    C17 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    C17 C19 H19A . . 109.5 ?
    C17 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C17 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    Cl1 C20 Cl2 . . 112.0(3) ?
    Cl1 C20 H20A . . 109.2 ?
    Cl2 C20 H20A . . 109.2 ?
    Cl1 C20 H20B . . 109.2 ?
    Cl2 C20 H20B . . 109.2 ?
    H20A C20 H20B . . 107.9 ?
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
    O3 S1 O1 Mn . . . . -115.8(3) ?
    O2 S1 O1 Mn . . . . 108.4(3) ?
    C1 S1 O1 Mn . . . . -4.5(3) ?
    N3 Mn O1 S1 . . . . -34.2(3) ?
    N3 Mn O1 S1 3 . . . 145.8(3) ?
    N1 Mn O1 S1 . . . . 44.1(3) ?
    N1 Mn O1 S1 3 . . . -135.9(3) ?
    O1 Mn N1 C2 . . . . 126.9(4) ?
    O1 Mn N1 C2 3 . . . -53.1(4) ?
    N3 Mn N1 C2 . . . . -145.6(4) ?
    N3 Mn N1 C2 3 . . . 34.4(4) ?
    O1 Mn N1 N2 . . . . -41.1(3) ?
    O1 Mn N1 N2 3 . . . 138.9(3) ?
    N3 Mn N1 N2 . . . . 46.4(3) ?
    N3 Mn N1 N2 3 . . . -133.6(3) ?
    C2 N1 N2 C4 . . . . -2.6(5) ?
    Mn N1 N2 C4 . . . . 168.5(3) ?
    C2 N1 N2 C1 . . . . -176.9(4) ?
    Mn N1 N2 C1 . . . . -5.9(5) ?
    O1 Mn N3 C8 . . . . -133.0(4) ?
    O1 Mn N3 C8 3 . . . 47.0(4) ?
    N1 Mn N3 C8 . . . . 143.7(4) ?
    N1 Mn N3 C8 3 . . . -36.3(4) ?
    O1 Mn N3 N4 . . . . 35.6(3) ?
    O1 Mn N3 N4 3 . . . -144.4(3) ?
    N1 Mn N3 N4 . . . . -47.6(3) ?
    N1 Mn N3 N4 3 . . . 132.4(3) ?
    C8 N3 N4 C10 . . . . 2.7(4) ?
    Mn N3 N4 C10 . . . . -169.0(3) ?
    C8 N3 N4 C1 . . . . -179.7(3) ?
    Mn N3 N4 C1 . . . . 8.6(5) ?
    C14 N5 N6 C16 . . . . 0.8(5) ?
    C14 N5 N6 C1 . . . . 171.6(4) ?
    C16 N6 C1 N4 . . . . 108.4(5) ?
    N5 N6 C1 N4 . . . . -60.5(4) ?
    C16 N6 C1 N2 . . . . -130.9(4) ?
    N5 N6 C1 N2 . . . . 60.2(5) ?
    C16 N6 C1 S1 . . . . -11.7(6) ?
    N5 N6 C1 S1 . . . . 179.4(3) ?
    C10 N4 C1 N6 . . . . -9.2(5) ?
    N3 N4 C1 N6 . . . . 173.6(3) ?
    C10 N4 C1 N2 . . . . -129.1(4) ?
    N3 N4 C1 N2 . . . . 53.7(5) ?
    C10 N4 C1 S1 . . . . 110.6(4) ?
    N3 N4 C1 S1 . . . . -66.6(4) ?
    C4 N2 C1 N6 . . . . 12.2(6) ?
    N1 N2 C1 N6 . . . . -174.4(3) ?
    C4 N2 C1 N4 . . . . 131.4(4) ?
    N1 N2 C1 N4 . . . . -55.3(5) ?
    C4 N2 C1 S1 . . . . -107.5(4) ?
    N1 N2 C1 S1 . . . . 65.8(4) ?
    O3 S1 C1 N6 . . . . -60.6(3) ?
    O2 S1 C1 N6 . . . . 62.9(3) ?
    O1 S1 C1 N6 . . . . -178.6(3) ?
    O3 S1 C1 N4 . . . . -179.5(3) ?
    O2 S1 C1 N4 . . . . -56.1(3) ?
    O1 S1 C1 N4 . . . . 62.4(3) ?
    O3 S1 C1 N2 . . . . 59.0(3) ?
    O2 S1 C1 N2 . . . . -177.5(3) ?
    O1 S1 C1 N2 . . . . -59.0(3) ?
    N2 N1 C2 C3 . . . . 1.2(5) ?
    Mn N1 C2 C3 . . . . -168.0(3) ?
    N2 N1 C2 C5 . . . . -176.4(4) ?
    Mn N1 C2 C5 . . . . 14.4(6) ?
    N1 C2 C3 C4 . . . . 0.6(5) ?
    C5 C2 C3 C4 . . . . 178.0(4) ?
    N1 N2 C4 C3 . . . . 3.0(5) ?
    C1 N2 C4 C3 . . . . 177.0(4) ?
    C2 C3 C4 N2 . . . . -2.2(5) ?
    N1 C2 C5 C6 . . . . 84.4(5) ?
    C3 C2 C5 C6 . . . . -92.8(6) ?
    N1 C2 C5 C7 . . . . -153.5(4) ?
    C3 C2 C5 C7 . . . . 29.3(6) ?
    N4 N3 C8 C9 . . . . -2.6(5) ?
    Mn N3 C8 C9 . . . . 167.1(3) ?
    N4 N3 C8 C11 . . . . 174.9(4) ?
    Mn N3 C8 C11 . . . . -15.3(6) ?
    N3 C8 C9 C10 . . . . 1.6(5) ?
    C11 C8 C9 C10 . . . . -175.7(4) ?
    N3 N4 C10 C9 . . . . -1.7(5) ?
    C1 N4 C10 C9 . . . . -179.1(4) ?
    C8 C9 C10 N4 . . . . 0.1(5) ?
    N3 C8 C11 C13 . . . . 152.5(4) ?
    C9 C8 C11 C13 . . . . -30.4(6) ?
    N3 C8 C11 C12 . . . . -85.4(5) ?
    C9 C8 C11 C12 . . . . 91.7(5) ?
    N6 N5 C14 C15 . . . . 0.8(5) ?
    N6 N5 C14 C17 . . . . -175.4(4) ?
    N5 C14 C15 C16 . . . . -2.1(6) ?
    C17 C14 C15 C16 . . . . 173.8(5) ?
    C14 C15 C16 N6 . . . . 2.5(5) ?
    N5 N6 C16 C15 . . . . -2.1(5) ?
    C1 N6 C16 C15 . . . . -171.6(4) ?
    N5 C14 C17 C19 . . . . -146.2(4) ?
    C15 C14 C17 C19 . . . . 38.4(7) ?
    N5 C14 C17 C18 . . . . 90.7(5) ?
    C15 C14 C17 C18 . . . . -84.8(6) ?
data_global
_journal_date_recd_electronic     2006-09-12
_journal_date_accepted     2006-10-25
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue     12
_journal_page_first     m3172
_journal_page_last     m3173
_journal_paper_category     EM
_journal_coeditor_code     BV2037
_publ_contact_author_name     'Elizabeth T. Papish'
_publ_contact_author_address
;Department of Chemistry
Salisbury University
1101 Camden Ave.
Salisbury, MD 21801
USA
;
_publ_contact_author_email     etpapish@salisbury.edu
_publ_contact_author_fax     410-677-5043
_publ_contact_author_phone     410-548-2945
_publ_section_title
;
Bis[tris(3-isopropylpyrazolyl)methanesulfonato]manganese(II) dichloromethane
disolvate
;
loop_
    _publ_author_name
    _publ_author_address
    'Jernigan, Finith E.'
;Department of Chemistry
Salisbury University
1101 Camden Ave.
Salisbury, MD 21801
USA
;
    'Jové, Fernando A.'
;Department of Chemistry and Biochemistry
University of Delaware
Newark, DE 19716
USA
;
    'Papish, Elizabeth T.'
;Department of Chemistry
Salisbury University
1101 Camden Ave.
Salisbury, MD 21801
USA
;
    'Yap, Glenn P. A.'
;Department of Chemistry and Biochemistry
University of Delaware
Newark, DE 19716
USA
;
