<small>L</small>-Nitroarginine monohydrochloride monohydrate
Okabe, N.; Kohyama, Y.; Ikeda, K.; Sunano, S.; Acta Crystallographica Section C 50 (1994) 2041–2043; doi:10.1107/S0108270194004208

data_2010241
_publ_section_title
;
 <small>L</small>-Nitroarginine monohydrochloride monohydrate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2041
_journal_page_last               2043
_journal_paper_doi               10.1107/S0108270194004208
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C6 H16 Cl N5 O5'
_chemical_formula_sum            'C6 H16 Cl N5 O5'
_chemical_formula_weight         273.68
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 107.80(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.559(3)
_cell_length_b                   5.936(3)
_cell_length_c                   16.339(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      7.35
_cell_measurement_theta_min      4.3
_cell_volume                     1252.1(7)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3292
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        -1.6
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.320
_exptl_absorpt_correction_T_max  1.06
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_type   ' empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_meas      1.449(4)
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.41
_refine_diff_density_min         -3.60
_refine_ls_goodness_of_fit_obs   1.59
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     306
_refine_ls_number_reflns         1510
_refine_ls_R_factor_obs          0.056
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 4F~o~^2^/\s^2^(F~o~^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.057
_reflns_number_observed          1510
_reflns_number_total             3164
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            as1098.cif
_cod_data_source_block           as1098a
_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        1252.0(10)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2010241