Les Composés de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^
Lemoine, P.; Chiadmi, M.; Bissery, V.; Tomas, A.; Viossat, B.; Acta Crystallographica Section C 52 (1996) 1430–1436; doi:10.1107/S0108270195008377

data_2005046
_publ_section_title
;
 Les Compos\'es de la Metformine avec les Ions Co^II^, Cu^II^ et Ni^II^
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1430
_journal_page_last               1436
_journal_paper_doi               10.1107/S0108270195008377
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C4 H12 Cl3 Co N5'
_chemical_formula_weight         295.47
_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                 112.97(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.502(5)
_cell_length_b                   7.533(2)
_cell_length_c                   13.040(4)
_cell_measurement_reflns_used    29
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      11.55
_cell_measurement_theta_min      3.15
_cell_volume                     1130.7(7)
_diffrn_measurement_device       'Siemens P3'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2810
_diffrn_reflns_theta_max         27.53
_diffrn_standards_decay_%        +-2.5
_diffrn_standards_interval_count 60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.09
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            bleue
_exptl_crystal_density_diffrn    1.74
_exptl_crystal_density_meas      1.71(2)
_exptl_crystal_description       'baguette parall\'el\'epip\'edique'
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.28
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1478
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.031
_reflns_number_observed          1478
_reflns_number_total             2608
_reflns_observed_criterion       I>=4\s(I)
_cod_data_source_file            pa1186.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'Temp\'erature ambiante' was
changed to '295(2)' - the room/ambient temperature average [293;298]
in Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'Temp\'erature ambiante' was
changed to '295(2)' - the room/ambient temperature average [293;298]
in Kelvins(K) was taken.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1130.7
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C4 H12 Cl3 Co N5 '
_cod_database_code               2005046