Very short F—H···F hydrogen bond in <small>L</small>-argininium fluoride hydrogen fluoride
Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.; Acta Crystallographica Section C 56 (2000) 104–106; doi:10.1107/S0108270199011981

data_2010543
_publ_section_title
;
 Very short F---H&#x00B7;&#x00B7;&#x00B7;F hydrogen bond in
 <small>L</small>-argininium fluoride hydrogen fluoride
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              104
_journal_page_last               106
_journal_paper_doi               10.1107/S0108270199011981
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C6 H15 N4 O2 1+ , F 1- , HF'
_chemical_formula_sum            'C6 H16 F2 N4 O2'
_chemical_formula_weight         214.23
_chemical_name_systematic
;
L-argininium fluoride hydrogen fluoride
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                87.878(14)
_cell_angle_beta                 74.948(16)
_cell_angle_gamma                86.653(17)
_cell_formula_units_Z            2
_cell_length_a                   5.1813(11)
_cell_length_b                   9.2173(18)
_cell_length_c                   10.6278(17)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      16.52
_cell_measurement_theta_min      8.33
_cell_volume                     489.18(17)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'HELENA (Spek, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  SHELXL97
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997b)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .990
_diffrn_measured_fraction_theta_max .990
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       'profile data from \w-2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .057
_diffrn_reflns_av_sigmaI/netI    .018
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3023
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .133
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             228
_exptl_crystal_size_max          .39
_exptl_crystal_size_mid          .24
_exptl_crystal_size_min          .24
_refine_diff_density_max         .197
_refine_diff_density_min         -.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         3004
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          .049
_refine_ls_R_factor_gt           .034
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0451P)^2^+0.1464P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .094
_reflns_number_gt                2635
_reflns_number_total             3004
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ln1087.cif
_cod_data_source_block           I
_cod_original_cell_volume        489.18(16)
_cod_database_code               2010543
_cod_database_fobs_code          2010543