Tétrachlorocuprate(II) de metformine
Lemoine, P.; Tomas, A.; Viossat, B.; Nguyen-Huy, D.; Acta Crystallographica Section C 50 (1994) 1437–1439; doi:10.1107/S0108270194002982

data_2010068
_publ_section_title
;
 T\'etrachlorocuprate(II) de metformine
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1437
_journal_page_last               1439
_journal_paper_doi               10.1107/S0108270194002982
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C4 H13 N5,Cl4 Cu1'
_chemical_formula_sum            'C4 H13 Cl4 Cu N5'
_chemical_formula_weight         336.53
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 108.10(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.128(5)
_cell_length_b                   7.926(3)
_cell_length_c                   14.735(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2
_cell_volume                     1235.3(10)
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3027
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.62
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            jaune
_exptl_crystal_density_diffrn    1.81
_exptl_crystal_density_meas      1.80(2)
_exptl_crystal_density_method    flottaison
_exptl_crystal_description       parall\'el\'epip\'edique
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.54
_refine_ls_extinction_coef       0.52(5)
_refine_ls_extinction_method     aucune
_refine_ls_goodness_of_fit_obs   1.78
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     128
_refine_ls_number_reflns         1046
_refine_ls_R_factor_obs          0.049
_refine_ls_shift/esd_max         0.0028
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.046
_reflns_number_observed          1046
_reflns_number_total             1046
_reflns_observed_criterion       I>=4\s(I)
_cod_data_source_file            pa1093.cif
_cod_data_source_block           pa1093_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1235.4(9)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C4 H13 Cl4 Cu1 N5'
_cod_database_code               2010068