##############################################################################
###                                                                        ###
###        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 2.4.    #
#                                                                            #
# 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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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-\
κ²N³,O⁴)manganese(II) 3.5-hydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H22 Mn N4 O10), 3.5H2 O'
_chemical_formula_sum     'C16 H29 Mn N4 O13.5'
_chemical_formula_iupac     '[Mn (C8 H9 N2 O4)2 (H2 O)2], 3.5H2 O'
_chemical_formula_weight     548.37
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     10.609(6)
_cell_length_b     10.649(6)
_cell_length_c     11.424(7)
_cell_angle_alpha     82.748(8)
_cell_angle_beta     82.544(7)
_cell_angle_gamma     86.857(7)
_cell_volume     1268.5(13)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3600
_cell_measurement_theta_min     1.36
_cell_measurement_theta_max     25.0
_cell_measurement_temperature     296(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.31
_exptl_crystal_size_mid     0.26
_exptl_crystal_size_min     0.21
_exptl_crystal_density_diffrn     1.436
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     572
_exptl_absorpt_coefficient_mu     0.590
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2004)'
_exptl_absorpt_correction_T_min     0.8384
_exptl_absorpt_correction_T_max     0.8862
_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 area-detector diffractometer'
_diffrn_measurement_method     'φ and ω scan'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     6656
_diffrn_reflns_av_R_equivalents     0.0345
_diffrn_reflns_av_sigmaI/netI     0.0798
_diffrn_reflns_theta_min     1.81
_diffrn_reflns_theta_max     25.20
_diffrn_reflns_theta_full     25.20
_diffrn_measured_fraction_theta_max     0.986
_diffrn_measured_fraction_theta_full     0.986
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -13
_diffrn_reflns_limit_l_max     10
_diffrn_standards_number     0
_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     4508
_reflns_number_gt     2551
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1096
_refine_ls_R_factor_gt     0.0594
_refine_ls_wR_factor_gt     0.1245
_refine_ls_wR_factor_ref     0.1518
_refine_ls_goodness_of_fit_ref     0.997
_refine_ls_restrained_S_all     0.997
_refine_ls_number_reflns     4508
_refine_ls_number_parameters     342
_refine_ls_number_restraints     5
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0585P)²+0.2346P] 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     0.009
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.315
_refine_diff_density_min     -0.330
_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'
    'Mn' 'Mn' 0.3368 0.7283
                         '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'
_computing_data_collection     'APEXII (Bruker, 2004)'
_computing_cell_refinement     'SAINT (Bruker, 2004)'
_computing_data_reduction     'SAINT (Bruker, 2004)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXL97 (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 0.84879(6) 0.29330(6) 0.19294(6) 0.0505(2) Uani d . 1 . .
    O O1 0.8746(4) -0.1883(3) 0.5157(3) 0.0718(10) Uani d . 1 . .
    H H1 0.8701 -0.1626 0.4455 0.108 Uiso calc R 1 . .
    O O2 0.8374(3) -0.1110(3) 0.6882(3) 0.0724(10) Uani d . 1 . .
    O O3 0.8872(3) 0.0868(3) 0.1898(3) 0.0582(8) Uani d . 1 . .
    O O4 0.8969(3) -0.1020(3) 0.2997(3) 0.0662(9) Uani d . 1 . .
    O O5 0.7711(3) 0.4910(3) 0.2083(3) 0.0564(8) Uani d . 1 . .
    O O6 0.6057(3) 0.6263(3) 0.1848(3) 0.0691(10) Uani d . 1 . .
    O O7 0.3863(3) 0.6187(3) 0.1382(3) 0.0641(9) Uani d . 1 . .
    H H6 0.4581 0.6182 0.1577 0.096 Uiso calc R 1 . .
    O O8 0.2555(3) 0.4775(3) 0.0983(3) 0.0642(9) Uani d . 1 . .
    N N1 0.8290(3) 0.2105(3) 0.3841(3) 0.0500(9) Uani d . 1 A .
    N N2 0.8112(3) 0.1375(4) 0.5753(3) 0.0585(10) Uani d . 1 A .
    H H2 0.7991 0.1451 0.6516 0.070 Uiso d R 1 . .
    N N3 0.6401(3) 0.2898(3) 0.1720(3) 0.0460(9) Uani d . 1 B .
    N N4 0.4436(3) 0.2822(3) 0.1290(3) 0.0505(9) Uani d . 1 B .
    H H4 0.3776 0.2468 0.1111 0.061 Uiso d R 1 . .
    C C1 0.8355(4) 0.0337(4) 0.5152(4) 0.0440(10) Uani d . 1 . .
    C C2 0.8473(3) 0.0802(4) 0.3970(4) 0.0419(10) Uani d . 1 . .
    C C3 0.8087(5) 0.2420(4) 0.4943(4) 0.0604(13) Uani d . 1 . .
    C C4 0.8790(4) 0.0165(4) 0.2877(4) 0.0496(11) Uani d . 1 . .
    C C5 0.8483(4) -0.0942(5) 0.5799(5) 0.0554(12) Uani d . 1 . .
    C C6A 0.7996(11) 0.3774(11) 0.5220(13) 0.084(3) Uani d PD 0.759(5) A 1
    H H6A 0.8314 0.3810 0.5973 0.100 Uiso calc PR 0.759(5) A 1
    H H6B 0.8528 0.4288 0.4608 0.100 Uiso calc PR 0.759(5) A 1
    C C7A 0.6680(8) 0.4301(7) 0.5284(8) 0.100(3) Uani d PD 0.759(5) A 1
    H H7A 0.6169 0.3863 0.5964 0.120 Uiso calc PR 0.759(5) A 1
    H H7B 0.6321 0.4168 0.4573 0.120 Uiso calc PR 0.759(5) A 1
    C C8A 0.6635(9) 0.5741(7) 0.5402(9) 0.137(4) Uani d PD 0.759(5) A 1
    H H8A 0.5779 0.6013 0.5665 0.206 Uiso calc PR 0.759(5) A 1
    H H8B 0.6914 0.6202 0.4643 0.206 Uiso calc PR 0.759(5) A 1
    H H8C 0.7183 0.5897 0.5969 0.206 Uiso calc PR 0.759(5) A 1
    C C6B 0.747(4) 0.358(4) 0.541(5) 0.084(3) Uani d PD 0.241(5) A 2
    H H6C 0.6822 0.3936 0.4932 0.100 Uiso calc PR 0.241(5) A 2
    H H6D 0.7079 0.3376 0.6224 0.100 Uiso calc PR 0.241(5) A 2
    C C7B 0.846(2) 0.452(3) 0.538(2) 0.100(3) Uani d PD 0.241(5) A 2
    H H7C 0.8067 0.5350 0.5479 0.120 Uiso calc PR 0.241(5) A 2
    H H7D 0.8990 0.4584 0.4612 0.120 Uiso calc PR 0.241(5) A 2
    C C8B 0.929(3) 0.410(2) 0.638(3) 0.137(4) Uani d PD 0.241(5) A 2
    H H8D 0.9855 0.4767 0.6433 0.206 Uiso calc PR 0.241(5) A 2
    H H8E 0.9788 0.3351 0.6207 0.206 Uiso calc PR 0.241(5) A 2
    H H8F 0.8759 0.3933 0.7120 0.206 Uiso calc PR 0.241(5) A 2
    C C9 0.5827(4) 0.4087(4) 0.1688(4) 0.0412(10) Uani d . 1 . .
    C C10 0.4601(4) 0.4059(4) 0.1419(4) 0.0432(10) Uani d . 1 . .
    C C11 0.5528(4) 0.2139(4) 0.1468(4) 0.0515(11) Uani d D 1 . .
    C C12 0.6575(4) 0.5144(4) 0.1884(4) 0.0507(11) Uani d . 1 . .
    C C13 0.3590(4) 0.5048(4) 0.1255(4) 0.0526(12) Uani d . 1 . .
    C C14A 0.559(3) 0.0724(6) 0.1680(13) 0.061(3) Uani d PD 0.545(7) B 1
    H H14A 0.6447 0.0413 0.1436 0.073 Uiso calc PR 0.545(7) B 1
    H H14B 0.5023 0.0391 0.1202 0.073 Uiso calc PR 0.545(7) B 1
    C C15A 0.5196(17) 0.0242(9) 0.3025(12) 0.093(4) Uani d PD 0.545(7) B 1
    H H15A 0.5725 0.0607 0.3516 0.111 Uiso calc PR 0.545(7) B 1
    H H15B 0.4315 0.0488 0.3263 0.111 Uiso calc PR 0.545(7) B 1
    C C16A 0.5371(12) -0.1179(9) 0.3172(12) 0.107(4) Uani d PD 0.545(7) B 1
    H H16A 0.5074 -0.1508 0.3976 0.160 Uiso calc PR 0.545(7) B 1
    H H16B 0.6257 -0.1410 0.2996 0.160 Uiso calc PR 0.545(7) B 1
    H H16C 0.4894 -0.1524 0.2637 0.160 Uiso calc PR 0.545(7) B 1
    C C14B 0.578(3) 0.0799(8) 0.1201(18) 0.061(3) Uani d PD 0.455(7) B 2
    H H14C 0.6668 0.0560 0.1241 0.073 Uiso calc PR 0.455(7) B 2
    H H14D 0.5594 0.0731 0.0402 0.073 Uiso calc PR 0.455(7) B 2
    C C15B 0.4928(12) -0.0126(12) 0.2116(12) 0.093(4) Uani d PD 0.455(7) B 2
    H H15C 0.4039 0.0123 0.2083 0.111 Uiso calc PR 0.455(7) B 2
    H H15D 0.5061 -0.0979 0.1897 0.111 Uiso calc PR 0.455(7) B 2
    C C16B 0.523(2) -0.0117(16) 0.3355(14) 0.107(4) Uani d PD 0.455(7) B 2
    H H16D 0.5291 -0.0971 0.3736 0.160 Uiso calc PR 0.455(7) B 2
    H H16E 0.4576 0.0352 0.3793 0.160 Uiso calc PR 0.455(7) B 2
    H H16F 0.6032 0.0274 0.3332 0.160 Uiso calc PR 0.455(7) B 2
    O O1W 0.8931(3) 0.3345(3) 0.0048(3) 0.0828(11) Uani d . 1 . .
    H H1W 0.9099 0.2672 -0.0280 0.124 Uiso d R 1 . .
    H H2W 0.8568 0.3968 -0.0336 0.124 Uiso d R 1 . .
    O O2W 1.0434(3) 0.3326(3) 0.2140(3) 0.0849(12) Uani d . 1 . .
    H H3W 1.0867 0.3943 0.1787 0.127 Uiso d R 1 . .
    H H4W 1.0929 0.2699 0.2328 0.127 Uiso d R 1 . .
    O O3W 0.9127(6) 0.0143(5) 0.9610(5) 0.0656(17) Uani d P 0.50 . .
    H H5W 0.9930 0.0018 0.9532 0.098 Uiso d PR 0.50 . .
    H H6W 0.9068 0.0143 1.0364 0.098 Uiso d PR 0.50 . .
    O O4W 0.7778(4) 0.1620(4) 0.8153(4) 0.1275(17) Uani d . 1 . .
    H H7W 0.8316 0.1163 0.8523 0.191 Uiso d R 1 . .
    H H8W 0.7326 0.2287 0.8273 0.191 Uiso d R 1 . .
    O O5W 0.1048(3) 0.2730(3) 0.8677(3) 0.0828(11) Uani d . 1 . .
    H H9W 0.1543 0.3290 0.8309 0.124 Uiso d R 1 . .
    H H10W 0.1101 0.2120 0.8256 0.124 Uiso d R 1 . .
    O O6W 0.2622(3) 0.1565(4) 0.0418(4) 0.1110(15) Uani d . 1 . .
    H H11W 0.2152 0.0928 0.0546 0.167 Uiso d R 1 . .
    H H12W 0.2063 0.2152 0.0292 0.167 Uiso d R 1 . .
_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 O1W . 2.134(3) ?
    Mn1 O2W . 2.178(3) ?
    Mn1 O3 . 2.218(3) ?
    Mn1 N1 . 2.237(4) ?
    Mn1 O5 . 2.238(3) ?
    Mn1 N3 . 2.260(3) ?
    O1 C5 . 1.312(5) ?
    O1 H1 . 0.8200 ?
    O2 C5 . 1.219(5) ?
    O3 C4 . 1.261(5) ?
    O4 C4 . 1.259(5) ?
    O5 C12 . 1.260(5) ?
    O6 C12 . 1.283(5) ?
    O7 C13 . 1.292(5) ?
    O7 H6 . 0.8200 ?
    O8 C13 . 1.238(5) ?
    N1 C3 . 1.332(5) ?
    N1 C2 . 1.382(5) ?
    N2 C3 . 1.356(5) ?
    N2 C1 . 1.369(5) ?
    N2 H2 . 0.8771 ?
    N3 C11 . 1.344(5) ?
    N3 C9 . 1.373(5) ?
    N4 C11 . 1.358(5) ?
    N4 C10 . 1.367(5) ?
    N4 H4 . 0.8708 ?
    C1 C2 . 1.371(6) ?
    C1 C5 . 1.474(6) ?
    C2 C4 . 1.487(6) ?
    C3 C6B . 1.50(5) ?
    C3 C6A . 1.510(12) ?
    C6A C7A . 1.472(14) ?
    C6A H6A . 0.9700 ?
    C6A H6B . 0.9700 ?
    C7A C8A . 1.553(9) ?
    C7A H7A . 0.9700 ?
    C7A H7B . 0.9700 ?
    C8A H8A . 0.9600 ?
    C8A H8B . 0.9600 ?
    C8A H8C . 0.9600 ?
    C6B C7B . 1.482(17) ?
    C6B H6C . 0.9700 ?
    C6B H6D . 0.9700 ?
    C7B C8B . 1.540(13) ?
    C7B H7C . 0.9700 ?
    C7B H7D . 0.9700 ?
    C8B H8D . 0.9600 ?
    C8B H8E . 0.9600 ?
    C8B H8F . 0.9600 ?
    C9 C10 . 1.377(5) ?
    C9 C12 . 1.468(6) ?
    C10 C13 . 1.474(5) ?
    C11 C14A . 1.495(7) ?
    C11 C14B . 1.499(9) ?
    C14A C15A . 1.567(14) ?
    C14A H14A . 0.9700 ?
    C14A H14B . 0.9700 ?
    C15A C16A . 1.505(11) ?
    C15A H15A . 0.9700 ?
    C15A H15B . 0.9700 ?
    C16A H16A . 0.9600 ?
    C16A H16B . 0.9600 ?
    C16A H16C . 0.9600 ?
    C14B C15B . 1.571(14) ?
    C14B H14C . 0.9700 ?
    C14B H14D . 0.9700 ?
    C15B C16B . 1.495(12) ?
    C15B H15C . 0.9700 ?
    C15B H15D . 0.9700 ?
    C16B H16D . 0.9600 ?
    C16B H16E . 0.9600 ?
    C16B H16F . 0.9600 ?
    O1W H1W . 0.8500 ?
    O1W H2W . 0.8500 ?
    O2W H3W . 0.8501 ?
    O2W H4W . 0.8500 ?
    O3W H5W . 0.8499 ?
    O3W H6W . 0.8551 ?
    O4W H7W . 0.8500 ?
    O4W H8W . 0.8500 ?
    O5W H9W . 0.8500 ?
    O5W H10W . 0.8500 ?
    O6W H11W . 0.8500 ?
    O6W H12W . 0.8500 ?
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
    O1W Mn1 O2W . . 89.56(13) ?
    O1W Mn1 O3 . . 93.19(12) ?
    O2W Mn1 O3 . . 94.68(12) ?
    O1W Mn1 N1 . . 167.13(13) ?
    O2W Mn1 N1 . . 86.66(12) ?
    O3 Mn1 N1 . . 74.89(12) ?
    O1W Mn1 O5 . . 91.53(12) ?
    O2W Mn1 O5 . . 95.47(12) ?
    O3 Mn1 O5 . . 168.84(11) ?
    N1 Mn1 O5 . . 101.07(12) ?
    O1W Mn1 N3 . . 89.97(12) ?
    O2W Mn1 N3 . . 169.81(13) ?
    O3 Mn1 N3 . . 95.51(11) ?
    N1 Mn1 N3 . . 95.91(12) ?
    O5 Mn1 N3 . . 74.37(11) ?
    C5 O1 H1 . . 109.5 ?
    C4 O3 Mn1 . . 118.1(3) ?
    C12 O5 Mn1 . . 116.7(3) ?
    C13 O7 H6 . . 109.5 ?
    C3 N1 C2 . . 105.4(3) ?
    C3 N1 Mn1 . . 142.5(3) ?
    C2 N1 Mn1 . . 112.1(3) ?
    C3 N2 C1 . . 108.2(4) ?
    C3 N2 H2 . . 120.0 ?
    C1 N2 H2 . . 131.8 ?
    C11 N3 C9 . . 105.7(3) ?
    C11 N3 Mn1 . . 141.8(3) ?
    C9 N3 Mn1 . . 111.8(3) ?
    C11 N4 C10 . . 108.9(3) ?
    C11 N4 H4 . . 121.3 ?
    C10 N4 H4 . . 129.8 ?
    N2 C1 C2 . . 105.5(4) ?
    N2 C1 C5 . . 120.8(4) ?
    C2 C1 C5 . . 133.7(4) ?
    C1 C2 N1 . . 110.1(4) ?
    C1 C2 C4 . . 131.7(4) ?
    N1 C2 C4 . . 118.2(4) ?
    N1 C3 N2 . . 110.8(4) ?
    N1 C3 C6B . . 131(2) ?
    N2 C3 C6B . . 115(2) ?
    N1 C3 C6A . . 123.2(7) ?
    N2 C3 C6A . . 125.7(7) ?
    C6B C3 C6A . . 23.1(13) ?
    O4 C4 O3 . . 125.2(4) ?
    O4 C4 C2 . . 118.1(4) ?
    O3 C4 C2 . . 116.8(4) ?
    O2 C5 O1 . . 121.7(4) ?
    O2 C5 C1 . . 121.2(5) ?
    O1 C5 C1 . . 117.0(4) ?
    C7A C6A C3 . . 112.0(8) ?
    C7A C6A H6A . . 109.2 ?
    C3 C6A H6A . . 109.2 ?
    C7A C6A H6B . . 109.2 ?
    C3 C6A H6B . . 109.2 ?
    H6A C6A H6B . . 107.9 ?
    C6A C7A C8A . . 111.0(8) ?
    C6A C7A H7A . . 109.4 ?
    C8A C7A H7A . . 109.4 ?
    C6A C7A H7B . . 109.4 ?
    C8A C7A H7B . . 109.4 ?
    H7A C7A H7B . . 108.0 ?
    C7B C6B C3 . . 109(3) ?
    C7B C6B H6C . . 110.0 ?
    C3 C6B H6C . . 110.0 ?
    C7B C6B H6D . . 110.0 ?
    C3 C6B H6D . . 110.0 ?
    H6C C6B H6D . . 108.3 ?
    C6B C7B C8B . . 109(3) ?
    C6B C7B H7C . . 109.8 ?
    C8B C7B H7C . . 109.8 ?
    C6B C7B H7D . . 109.8 ?
    C8B C7B H7D . . 109.8 ?
    H7C C7B H7D . . 108.3 ?
    C7B C8B H8D . . 109.5 ?
    C7B C8B H8E . . 109.5 ?
    H8D C8B H8E . . 109.5 ?
    C7B C8B H8F . . 109.5 ?
    H8D C8B H8F . . 109.5 ?
    H8E C8B H8F . . 109.5 ?
    N3 C9 C10 . . 110.4(3) ?
    N3 C9 C12 . . 118.4(3) ?
    C10 C9 C12 . . 131.2(4) ?
    N4 C10 C9 . . 105.1(3) ?
    N4 C10 C13 . . 122.0(4) ?
    C9 C10 C13 . . 132.9(4) ?
    N3 C11 N4 . . 109.9(4) ?
    N3 C11 C14A . . 125.3(13) ?
    N4 C11 C14A . . 122.8(12) ?
    N3 C11 C14B . . 125.4(15) ?
    N4 C11 C14B . . 123.9(15) ?
    C14A C11 C14B . . 21.4(9) ?
    O5 C12 O6 . . 122.5(4) ?
    O5 C12 C9 . . 118.2(4) ?
    O6 C12 C9 . . 119.3(4) ?
    O8 C13 O7 . . 123.3(4) ?
    O8 C13 C10 . . 120.2(4) ?
    O7 C13 C10 . . 116.4(4) ?
    C11 C14A C15A . . 111.1(7) ?
    C11 C14A H14A . . 109.4 ?
    C15A C14A H14A . . 109.4 ?
    C11 C14A H14B . . 109.4 ?
    C15A C14A H14B . . 109.4 ?
    H14A C14A H14B . . 108.0 ?
    C16A C15A C14A . . 107.5(10) ?
    C16A C15A H15A . . 110.2 ?
    C14A C15A H15A . . 110.2 ?
    C16A C15A H15B . . 110.2 ?
    C14A C15A H15B . . 110.2 ?
    H15A C15A H15B . . 108.5 ?
    C11 C14B C15B . . 110.5(12) ?
    C11 C14B H14C . . 109.5 ?
    C15B C14B H14C . . 109.5 ?
    C11 C14B H14D . . 109.5 ?
    C15B C14B H14D . . 109.5 ?
    H14C C14B H14D . . 108.1 ?
    C16B C15B C14B . . 111.5(16) ?
    C16B C15B H15C . . 109.3 ?
    C14B C15B H15C . . 109.3 ?
    C16B C15B H15D . . 109.3 ?
    C14B C15B H15D . . 109.3 ?
    H15C C15B H15D . . 108.0 ?
    C15B C16B H16D . . 109.5 ?
    C15B C16B H16E . . 109.5 ?
    H16D C16B H16E . . 109.5 ?
    C15B C16B H16F . . 109.5 ?
    H16D C16B H16F . . 109.5 ?
    H16E C16B H16F . . 109.5 ?
    Mn1 O1W H1W . . 111.4 ?
    Mn1 O1W H2W . . 121.1 ?
    H1W O1W H2W . . 118.1 ?
    Mn1 O2W H3W . . 127.0 ?
    Mn1 O2W H4W . . 117.6 ?
    H3W O2W H4W . . 109.8 ?
    H5W O3W H6W . . 93.8 ?
    H7W O4W H8W . . 135.3 ?
    H9W O5W H10W . . 106.9 ?
    H11W O6W H12W . . 99.7 ?
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
    O1 H1 O4 . 0.82 1.70 2.507(5) 166.7
    O7 H6 O6 . 0.82 1.64 2.462(4) 174.5
    N2 H2 O4W . 0.88 1.88 2.762(6) 178.5
    N4 H4 O6W . 0.87 1.90 2.758(5) 166.1
    O1W H1W O5W 1_654 0.85 2.25 2.667(4) 110.4
    O1W H2W O8 2_665 0.85 1.89 2.724(4) 167.8
    O2W H3W O8 1_655 0.85 2.09 2.878(4) 153.4
    O2W H4W O2 2_756 0.85 1.97 2.791(4) 162.6
    O3W H5W O3W 2_757 0.85 1.48 2.149(12) 132.9
    O3W H5W O3 2_756 0.85 2.21 2.811(6) 127.5
    O3W H6W O3 1_556 0.86 1.98 2.793(7) 157.2
    O4W H7W O3W . 0.85 1.82 2.646(7) 165.4
    O4W H8W O7 2_666 0.85 2.05 2.897(5) 176.0
    O5W H9W O5 2_666 0.85 2.09 2.885(4) 155.9
    O5W H9W O6 2_666 0.85 2.59 3.266(5) 136.7
    O5W H10W O4 2_656 0.85 1.97 2.804(4) 165.8
    O6W H11W O3W 2_656 0.85 1.86 2.674(7) 160.0
    O6W H12W O5W 1_554 0.85 2.26 2.880(6) 130.1
data_global
_journal_date_recd_electronic     2010-07-23
_journal_date_accepted     2010-08-06
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      9
_journal_page_first     m1096
_journal_page_last     m1097
_journal_paper_category     QM
_journal_coeditor_code     JH2190
_publ_contact_author_name     'Wen-Dong Song'
_publ_contact_author_address
;
College of Science, Guangdong Ocean University,
Zhan Jiang 524088
People's Republic of China.
;
_publ_contact_author_email     songwd60@163.com
_publ_contact_author_fax     '86 0759 2383636'
_publ_contact_author_phone     '86 0759 2383559'
_publ_section_title
;\
Diaquabis(5-carboxy-2-propyl-1H-imidazole-4-carboxylato-\
κ²N³,O⁴)manganese(II) 3.5-hydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Shi-Jie Li' .
;
College of Food Science and Technology,
Guangdong Ocean University
Zhanjiang 524088
People's Republic of China
;
    'Dong-Liang Miao' .
;
College of Food Science and Technology,
Guangdong Ocean University
Zhanjiang 524088
People's Republic of China
;
    'Wen-Dong Song' .
;
College of Science,
Guangdong Ocean University
Zhanjiang 524088
People's Republic of China
;
    'Shi-Hong Li' .
;
College of Medical Laboratory,
Hebei North University
Zhangjiakou 075000
People's Republic of China
;
    'Jian-Bin Yan' .
;
College of Food Science and Technology,
Guangdong Ocean University
Zhanjiang 524088
People's Republic of China
;
