Pyrazine dioxide bridged two-dimensional antiferromagnets [M(NCS)2(pzdo)2] (M = Mn, Co; pzdo = pyrazine dioxide)Electronic supplementary information (ESI) available: Fig. S1: two types of coordination mode for pzdo. Fig. S2: perspective view of compound 2 along the [010] direction. See http://www.rsc.org/suppdata/cc/b1/b107334f/
Sun, Hao-Ling; Ma, Bao-Qing; Gao, Song; Su, Gang; Chemical Communications  (2001) 2586–; doi:10.1039/b107334f

data_7114819
_publ_section_title
;
 Pyrazine dioxide bridged two-dimensional antiferromagnets
 [M(NCS)2(pzdo)2] (M = Mn, Co; pzdo = pyrazine dioxide)Electronic
 supplementary information (ESI) available: Fig. S1: two types of
 coordination mode for pzdo. Fig. S2: perspective view of compound 2 along
 the [010] direction. See http://www.rsc.org/suppdata/cc/b1/b107334f/
;
_journal_issue                   24
_journal_name_full               'Chemical Communications'
_journal_page_first              2586
_journal_paper_doi               10.1039/b107334f
_journal_year                    2001
_chemical_formula_sum            'C10 H8 Mn N6 O4 S2'
_chemical_formula_weight         395.28
_chemical_name_systematic
; 
? 
;
_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                82.237(3)
_cell_angle_beta                 66.892(3)
_cell_angle_gamma                74.971(3)
_cell_formula_units_Z            1
_cell_length_a                   6.9405(2)
_cell_length_b                   7.1938(3)
_cell_length_c                   8.2566(4)
_cell_measurement_temperature    293(2)
_cell_volume                     365.94(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD (Nonius B. V., 1998)'
_computing_data_reduction
'HKL Denzo (Otwinowski & Minor, 1997) & maXus (Mackay et al., 1998)'
_computing_molecular_graphics    'Bruker SHELXTL V5.1 (Sheldrick, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6971
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.87
_exptl_absorpt_coefficient_mu    1.216
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             199
_refine_diff_density_max         0.707
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       0.074(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.219
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     107
_refine_ls_number_reflns         1662
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.219
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+1.2221P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1209
_refine_ls_wR_factor_ref         0.1224
_reflns_number_gt                1518
_reflns_number_total             1662
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b107334f.txt
_cod_data_source_block           1-Mnpzdo
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7114819