Symmetrically H-bridged dimer of 2-carboxylatobenzenediazonium. The 1:1 complex between 2-carboxybenzenediazonium chloride and benzenediazonium-2-carboxylate
Horan, C. J.; Haney, P. E.; Barnes, C. L.; Glaser, R.; Acta Crystallographica Section C 49 (1993) 1525–1528; doi:10.1107/S0108270193001040

data_2001467
_publ_section_title
;
 Symmetrically H-bridged dimer of 2-carboxylatobenzenediazonium. The
 1:1 complex between 2-carboxybenzenediazonium chloride and
 benzenediazonium-2-carboxylate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1525
_journal_page_last               1528
_journal_paper_doi               10.1107/S0108270193001040
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C7 H4 N2 O2, 0.5(H1 Cl1), H2 O1'
_chemical_formula_sum            'C7 H6.5 Cl0.5 N2 O2'
_chemical_formula_weight         184.37
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                84.37(2)
_cell_angle_beta                 80.74(2)
_cell_angle_gamma                78.18(2)
_cell_formula_units_Z            1
_cell_length_a                   4.8238(15)
_cell_length_b                   7.510(2)
_cell_length_c                   11.915(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     416.0(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1647
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <2.5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.41
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.33
_refine_ls_goodness_of_fit_obs   1.84
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     127
_refine_ls_number_reflns         1117
_refine_ls_R_factor_obs          0.058
_refine_ls_shift/esd_max         0.043
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0015(F^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.075
_reflns_number_observed          1117
_reflns_number_total             1459
_reflns_observed_criterion       I<=2.5\s(I)
_cod_data_source_file            gr1005.cif
_cod_data_source_block           gr1005_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.0015(F^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)+0.0015(F^2^)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2001467