2,2'-Bipyrimidine (bpm)-bridged dinuclear complexes. 3. Structure of μ-(2,2'-bipyrimidine-<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)bis(tetraaquazinc) disulfate dihydrate, [Zn~2~(μ-bpm)(H~2~O)~8~](SO~4~)~2~.2H~2~O
De Munno, G.; Julve, M.; Acta Crystallographica Section C 50 (1994) 1034–1037; doi:10.1107/S0108270193012363

data_2009884
_publ_section_title
;2,2'-Bipyrimidine (bpm)-bridged dinuclear complexes. 3. Structure of
 \m-(2,2'-bipyrimidine-<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^3^,<i>N</i>^3'^)bis(tetraaquazinc)
 disulfate dihydrate, [Zn~2~(\m-bpm)(H~2~O)~8~](SO~4~)~2~.2H~2~O
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1034
_journal_page_last               1037
_journal_paper_doi               10.1107/S0108270193012363
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C8 H22 N4 O8 Zn2 4+,2(O4 S 2-),2(H2 O)'
_chemical_formula_sum            'C8 H26 N4 O18 S2 Zn2'
_chemical_formula_weight         661.2
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 91.890(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1280(10)
_cell_length_b                   11.818(2)
_cell_length_c                   11.719(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7.5
_cell_volume                     1125.1(3)
_diffrn_measurement_device       'Siemens R/3mV four-circle'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.008
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            2942
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 150
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.45
_exptl_absorpt_correction_T_max  0.384
_exptl_absorpt_correction_T_min  0.337
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.952
_exptl_crystal_description       polyhedral
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.92
_refine_ls_goodness_of_fit_obs   1.059
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     184
_refine_ls_number_reflns         2217
_refine_ls_R_factor_obs          0.0280
_refine_ls_shift/esd_max         0.033
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0010F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0296
_reflns_number_observed          2217
_reflns_number_total             2578
_reflns_observed_criterion       'I > 3\s(I)'
_cod_data_source_file            na1055.cif
_cod_data_source_block           na1055_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.0010F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.0010F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009884