Interactions between sulfonated azo dyes and biomolecules: orange G/adenine and orange G/cytosine salts
Ojala, W. H.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Acta Crystallographica Section C 50 (1994) 1615–1620; doi:10.1107/S0108270194000338

data_2010080
_publ_section_title
;
 Interactions between sulfonated azo dyes and biomolecules: orange
 G/adenine and orange G/cytosine salts
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1615
_journal_page_last               1620
_journal_paper_doi               10.1107/S0108270194000338
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C24 H24 N8 O10 S2'
_chemical_formula_sum            'C24 H24 N8 O10 S2'
_chemical_formula_weight         648.62
_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                90.17(3)
_cell_angle_beta                 90.74(2)
_cell_angle_gamma                110.96(2)
_cell_formula_units_Z            2
_cell_length_a                   8.908(2)
_cell_length_b                   11.632(4)
_cell_length_c                   13.697(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      20.0
_cell_volume                     1325.2(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9870
_diffrn_reflns_theta_max         70
_diffrn_standards_decay_%        '-5.6 (linear correction applied)'
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_exptl_absorpt_correction_type   empirical
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_exptl_crystal_description       'thin plate'
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_refine_diff_density_max         0.48
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_refine_ls_extinction_method     isotropic
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_refine_ls_number_reflns         4338
_refine_ls_R_factor_obs          0.034
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(F~o~^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.048
_reflns_number_observed          4338
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_cod_data_source_file            bk1002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4F~o~^2^/[\s^2^(F~o~^2^)]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F~o~^2^/[\s^2^(F~o~^2^)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1325.0(10)
_cod_database_code               2010080