3-Amino-1-propylammonium perchlorate: an extensively hydrogen-bonded system
Aurangzeb, N.; McAuliffe, C. A.; Pritchard, R. G.; Watkinson, M.; Garcia-Deibe, A.; Sousa, A.; Bermejo, M. R.; Acta Crystallographica Section C 49 (1993) 1656–1657; doi:10.1107/S010827019300277X

data_2001398
_publ_section_title
;
 3-Amino-1-propylammonium perchlorate: an extensively hydrogen-bonded
 system
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1656
_journal_page_last               1657
_journal_paper_doi               10.1107/S010827019300277X
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         '(C3 H11 N2 ) (Cl1 O4 )'
_chemical_formula_sum            'C3 H11 Cl N2 O4'
_chemical_formula_weight         174.58
_chemical_name_systematic
;
3-Amino-1-Propylammonium Perchlorate
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8.00
_cell_length_a                   12.337(4)
_cell_length_b                   12.888(6)
_cell_length_c                   9.677(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      38.84
_cell_measurement_theta_min      30.48
_cell_volume                     1538.6(14)
_computing_cell_refinement       ' MSC/AFC Diffractometer Control Software'
_computing_data_collection
; MSC/AFC Diffractometer Control Software
          (Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1985)''
_computing_molecular_graphics    'PLUTO (Motherwell & Clegg, 1978)'
_computing_publication_material  'TEXSAN FINISH'
_computing_structure_refinement  'TEXSAN LS'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device       AFC-6S
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1595
_diffrn_reflns_theta_max         25.0199
_diffrn_reflns_theta_min         1.0
_diffrn_standards_decay_%        -1.70
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.4589
_exptl_absorpt_correction_T_max  1.06
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   refdelf
_exptl_crystal_colour            buff
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_description       plate
_exptl_crystal_F_000             736.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_refine_diff_density_max         -0.40334
_refine_diff_density_min         0.31512
_refine_ls_extinction_method     'Not applied'
_refine_ls_goodness_of_fit_obs   2.077
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     139
_refine_ls_number_reflns         989
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0390
_refine_ls_shift/esd_max         0.0089
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0523
_reflns_number_observed          989
_reflns_number_total             1595
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            li1052.cif
_cod_data_source_block           li1052_structure_1_of_1
_cod_original_cell_volume        1538(2)
_cod_original_sg_symbol_H-M      'P b c a                '
_cod_original_formula_sum        'C3 H11 Cl1 N2 O4'
_cod_database_code               2001398