Bis(<small>L</small>-prolinato-<i>N</i>,<i>O</i>)zinc(II)
Ng, C.-H.; Fun, H.-K.; Teo, S.-B.; Teoh, S.-G.; Chinnakali, K.; Acta Crystallographica Section C 51 (1995) 244–245; doi:10.1107/S0108270194009340

data_2010472
_publ_section_title
;
 Bis(<small>L</small>-prolinato-<i>N</i>,<i>O</i>)zinc(II)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              244
_journal_page_last               245
_journal_paper_doi               10.1107/S0108270194009340
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C10 H14 N2 O4 Zn'
_chemical_formula_weight         291.6
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 91.63(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   9.609(5)
_cell_length_b                   5.648(3)
_cell_length_c                   10.491(5)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    298
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      7.5
_cell_volume                     569.1(5)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       2\q/\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1428
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.162
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_meas      1.695
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.96
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     162
_refine_ls_number_reflns         1262
_refine_ls_R_factor_obs          0.0269
_refine_ls_shift/esd_max         0.243
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0011F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0362
_reflns_number_observed          1262
_reflns_number_total             1347
_reflns_observed_criterion       F>4.0\s(F)
_cod_data_source_file            li1042.cif
_cod_data_source_block           li1042_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0011F^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) +
0.0011F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2010472