Structure of 2,4-dinitrophenylhydrazine
Okabe, N.; Nakamura, T.; Fukuda, H.; Acta Crystallographica Section C 49 (1993) 1678–1680; doi:10.1107/S0108270193002550

data_2001408
_publ_section_title
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 Structure of 2,4-dinitrophenylhydrazine
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_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1678
_journal_page_last               1680
_journal_paper_doi               10.1107/S0108270193002550
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C6 H6 N4 O4'
_chemical_formula_sum            'C12 H12 N8 O8'
_chemical_formula_weight         198.14
_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                 97.04(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   4.819(3)
_cell_length_b                   11.625(4)
_cell_length_c                   14.268(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      9.8
_cell_measurement_theta_min      4.25
_cell_volume                     793.3(6)
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.081
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2138
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        2.37
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.133
_exptl_absorpt_correction_T_max  1.05
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   'empirical, DIFABS (Walker & Stuart, 1983)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_meas      1.6590(10)
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.18
_refine_ls_goodness_of_fit_obs   1.16
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     151
_refine_ls_number_reflns         581
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.01
_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         0.043
_reflns_number_observed          581
_reflns_number_total             1920
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            as1037.cif
_cod_data_source_block           as1037_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=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 
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_cod_original_cell_volume        793.3(5)
_cod_database_code               2001408