Bis(<i>n</i>-heptylammonium) Tetrachlorozincate
Guo, N.; Lin, Y.-H.; Xi, S.-Q.; Acta Crystallographica Section C 51 (1995) 617–619; doi:10.1107/S0108270194009248

data_2003365
_publ_section_title
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 Bis(<i>n</i>-heptylammonium) Tetrachlorozincate
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              617
_journal_page_last               619
_journal_paper_doi               10.1107/S0108270194009248
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        synthesis
_chemical_formula_sum            'C14 H36 Cl4 N2 Zn'
_chemical_formula_weight         439.64
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.447(1)
_cell_length_b                   10.387(2)
_cell_length_c                   30.082(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      1.5
_cell_volume                     2326.9(9)
_diffrn_measurement_device       'Nicolet R3m/E'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2451
_diffrn_reflns_theta_max         17.5
_diffrn_standards_decay_%        <+-2
_diffrn_standards_interval_count 100
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    1.546
_exptl_absorpt_correction_T_max  0.650
_exptl_absorpt_correction_T_min  0.530
_exptl_absorpt_correction_type   'empirical (Sheldrick, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_meas      1.23
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.23
_refine_ls_goodness_of_fit_obs   1.181
_refine_ls_number_parameters     190
_refine_ls_number_reflns         503
_refine_ls_R_factor_obs          0.053
_refine_ls_shift/esd_max         0.088
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.00026F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.045
_reflns_number_observed          503
_reflns_number_total             1304
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1079.cif
_cod_data_source_block           mu1079a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.00026F^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) +
0.00026F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_Hall     'P -2bc 21'
_cod_database_code               2003365