<i>catena</i>-Poly[[dihydraziniummanganese(II)]-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] from synchrotron data
Srinivasan, Krishnan; Govindarajan, Subbaiah; Harrison, William T. A.; Acta Crystallographica Section E 63 (2007) i152–i152; doi:10.1107/S1600536807024579

data_2214415
_publ_section_title
;<i>catena</i>-Poly[[dihydraziniummanganese(II)]-di-\m-sulfato-\k^4^<i>O</i>:<i>O</i>']
 from synchrotron data
;
_journal_coeditor_code           WM2112
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i152
_journal_page_last               i152
_journal_paper_doi               10.1107/S1600536807024579
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'Mn (N2 H5)2 (S O4)2'
_chemical_formula_moiety         'H10 Mn N4 O8 S2'
_chemical_formula_structural     'Mn (N2 H5)2 (S O4)2'
_chemical_formula_sum            'H10 Mn N4 O8 S2'
_chemical_formula_weight         313.18
_chemical_name_systematic
;
<i>catena</i>-poly[[dihydraziniummanganese(II)]-di-\m-sulfato-\k^4^O:O']
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.651(2)
_cell_angle_beta                 104.332(2)
_cell_angle_gamma                99.249(2)
_cell_formula_units_Z            1
_cell_length_a                   5.3910(10)
_cell_length_b                   5.8678(11)
_cell_length_c                   7.3954(14)
_cell_measurement_temperature    120(2)
_cell_volume                     222.81(7)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.634
_diffrn_measured_fraction_theta_max 0.634
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'beam line 9.8 at Daresbury synchrotron'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.69050
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1414
_diffrn_reflns_theta_full        29.73
_diffrn_reflns_theta_max         29.73
_diffrn_reflns_theta_min         3.85
_exptl_absorpt_coefficient_mu    1.988
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.961
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             159
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.001
_refine_diff_density_max         0.730
_refine_diff_density_min         -1.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.230
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     71
_refine_ls_number_reflns         881
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.230
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0819
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2471
_refine_ls_wR_factor_ref         0.2483
_reflns_number_gt                852
_reflns_number_total             881
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2112.cif
_cod_data_source_block           I
_cod_database_code               2214415
_cod_database_fobs_code          2214415