#------------------------------------------------------------------------------
#$Date: 2023-06-06 08:27:21 +0300 (Tue, 06 Jun 2023) $
#$Revision: 284364 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/20/2312082.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2312082
loop_
_publ_author_name
'Wrześniewska, Weronika'
'Paluch, Piotr'
'Guńka, Piotr A'
_publ_section_title
;
 Arsenic(III) oxide intercalate with ammonium chloride: crystal structure
 revision and thermal characterization.
;
_journal_coeditor_code           XK5099
_journal_issue                   3
_journal_name_full
'Acta crystallographica Section B, Structural science, crystal engineering and materials'
_journal_page_first              207
_journal_page_last               212
_journal_paper_doi               10.1107/S2052520623003086
_journal_volume                  79
_journal_year                    2023
_chemical_formula_moiety         '2(As2 O3), 2(H4 N), H2 O, 2(Cl)'
_chemical_formula_sum            'As4 Cl2 H10 N2 O7'
_chemical_formula_weight         520.68
_space_group_crystal_system      hexagonal
_space_group_IT_number           191
_space_group_name_Hall           '-P 6 2'
_space_group_name_H-M_alt        'P 6/m m m'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_date             2023-03-27
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c185 for OlexSys, GUI svn.r6748)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.25420(10)
_cell_length_b                   5.25420(10)
_cell_length_c                   12.6308(3)
_cell_measurement_reflns_used    10181
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.2830
_cell_measurement_theta_min      4.4460
_cell_volume                     301.978(11)
_computing_cell_refinement       'CrysAlisPro 1.171.42.88a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.88a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.88a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3347
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -96.00   7.00   1.00   30.00    --  -19.65 -38.00 -60.00  103
  2  ω     -6.00  96.00   1.00   30.00    --   19.96  38.00-180.00  102
  3  ω    -53.00  39.00   1.00   30.00    --  -19.65  77.00-120.00   92
  4  ω    -46.00  56.00   1.00   30.00    --  -19.65  38.00  90.00  102
  5  ω     60.00 110.00   1.00   30.00    --   19.96 179.00 -90.00   50
  6  ω    -14.00  39.00   1.00   30.00    --   19.96  77.00 120.00   53
  7  ω    -14.00  39.00   1.00   30.00    --   19.96  77.00 -90.00   53
  8  ω     60.00 110.00   1.00   30.00    --   19.96 179.00  30.00   50
  9  ω    -49.00  54.00   1.00   30.00    --  -19.65  57.00  90.00  103
 10  ω    -72.00   6.00   1.00   30.00    --  -19.65 117.00 113.00   78
 11  ω    -99.00 -52.00   1.00   30.00    --  -19.65-162.00-123.00   47
 12  ω    -12.00  96.00   1.00   30.00    --   19.96  69.00-166.00  108
 13  ω      1.00  62.00   1.00   30.00    --   19.96 -99.00  30.00   61
 14  ω    -14.00  39.00   1.00   30.00    --   19.96  77.00 -30.00   53
 15  ω   -109.00 -78.00   1.00   30.00    --  -19.65   0.00 -90.00   31
 16  ω   -109.00  70.00   1.00   30.00    --  -19.65   0.00-180.00  179
 17  ω   -109.00  70.00   1.00   30.00    --  -19.65   0.00-150.00  179
 18  ω   -109.00  70.00   1.00   30.00    --  -19.65   0.00-120.00  179
 19  ω     16.00  72.00   1.00   30.00    --   19.96-117.00  25.00   56
 20  ω     -6.00  96.00   1.00   30.00    --   19.96  38.00 120.00  102
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1286930000
_diffrn_orient_matrix_UB_12      0.0538906000
_diffrn_orient_matrix_UB_13      -0.0313810000
_diffrn_orient_matrix_UB_21      0.0479317000
_diffrn_orient_matrix_UB_22      0.1444302000
_diffrn_orient_matrix_UB_23      0.0185794000
_diffrn_orient_matrix_UB_31      0.0737465000
_diffrn_orient_matrix_UB_32      -0.0231674000
_diffrn_orient_matrix_UB_33      0.0427021000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0826
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16612
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.834
_diffrn_reflns_theta_min         3.226
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    11.428
_exptl_absorpt_correction_T_max  0.756
_exptl_absorpt_correction_T_min  0.258
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.88a (Rigaku Oxford Diffraction, 2023)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.863
_exptl_crystal_description       plate
_exptl_crystal_F_000             246
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.131
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.487
_refine_diff_density_min         -0.510
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       0.330(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.231
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     17
_refine_ls_number_reflns         282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.231
_refine_ls_R_factor_all          0.0164
_refine_ls_R_factor_gt           0.0157
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0247P)²+0.1074P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0420
_refine_ls_wR_factor_ref         0.0424
_reflns_Friedel_coverage         0.000
_reflns_number_gt                275
_reflns_number_total             282
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            xk5099sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2312082.cif.'
_cod_original_cell_volume        301.977(14)
_cod_database_code               2312082
_cod_database_fobs_code          2312082
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'As2 O3.5 N H5 Cl1'
_chemical_oxdiff_usercomment     'WW4 '
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.763
_shelx_estimated_absorpt_t_min   0.259
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All N(H,H) groups, All O(H) groups
2. Shared sites
{N2, O2}
3. Uiso/Uaniso restraints and constraints
Uanis(N2) = Uanis(O2)
4. Others
 Fixed Sof: H1B(0.041667) H1A(0.125) O2(0.041667) H2(0.083333) N2(0.041667)
 H2A(0.083333) H2B(0.083333)
 Fixed X: H1B(0) H1A(0) H2(0.35107) H2A(0.35999) H2B(0.58084)
 Fixed Y: H1B(0) H1A(0.161671) H2(0) H2A(0) H2B(0.161671)
 Fixed Z: H1B(0.071341) H1A(-0.023781) H2(0.456189) H2A(0.45882) H2B(0.541181)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.160
_oxdiff_exptl_absorpt_empirical_full_min 0.866
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z'
'y, -x+y, z'
'x-y, x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.333333 0.666667 0.21239(2) 0.01091(15) Uani 1 6 d S T P . .
O1 O 0.000000 0.500000 0.13663(13) 0.0142(3) Uani 1 4 d S T P . .
Cl2 Cl 0.000000 0.000000 0.32260(11) 0.0274(3) Uani 1 12 d S T P . .
N1 N 0.000000 0.000000 0.000000 0.0227(11) Uani 1 24 d S T P . .
H1B H 0.000000 0.000000 0.071341 0.034 Uiso 0.5 12 d S U P . .
H1A H 0.000000 0.161671 -0.023781 0.034 Uiso 0.25 2 d S U P . .
O2 O 0.500000 0.000000 0.500000 0.089(4) Uani 0.3334 8 d S T P A 1
H2 H 0.351070 0.000000 0.456189 0.134 Uiso 0.1667 2 d S U P B 1
N2 N 0.500000 0.000000 0.500000 0.089(4) Uani 0.3334 8 d S T P C 2
H2A H 0.359990 0.000000 0.458820 0.134 Uiso 0.1667 2 d S U P D 2
H2B H 0.580840 0.161671 0.541181 0.134 Uiso 0.1667 2 d S U P E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.0153
0 0 -1 0.0093
2 -1 0 0.0662
-2 1 0 0.0666
1 1 0 0.0750
-1 -1 0 0.0726
-1 2 0 0.0720
1 -2 0 0.0595
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 As1 O1 94.18(6) . 3_565 ?
O1 As1 O1 94.18(6) 3_565 2_665 ?
O1 As1 O1 94.18(6) . 2_665 ?
As1 O1 As1 115.50(9) 4_565 . ?
H1B N1 H1B 180.0 . 13 ?
H1B N1 H1A 109.474(1) 13 17 ?
H1B N1 H1A 70.526(1) . 16 ?
H1B N1 H1A 109.474(1) . . ?
H1B N1 H1A 70.526(1) 13 6 ?
H1B N1 H1A 70.526(1) 13 5 ?
H1B N1 H1A 70.526(1) . 15 ?
H1B N1 H1A 109.474(1) . 4 ?
H1B N1 H1A 109.474(1) 13 18 ?
H1B N1 H1A 70.526(1) . 13 ?
H1B N1 H1A 109.474(1) 13 15 ?
H1B N1 H1A 109.474(1) 13 13 ?
H1B N1 H1A 70.526(1) 13 4 ?
H1B N1 H1A 109.474(1) . 2 ?
H1B N1 H1A 109.474(1) . 5 ?
H1B N1 H1A 70.526(1) 13 2 ?
H1B N1 H1A 70.526(1) . 17 ?
H1B N1 H1A 70.526(1) . 14 ?
H1B N1 H1A 109.474(1) . 6 ?
H1B N1 H1A 109.474(1) 13 14 ?
H1B N1 H1A 70.526(1) . 18 ?
H1B N1 H1A 109.474(1) . 3 ?
H1B N1 H1A 70.526(1) 13 3 ?
H1B N1 H1A 109.474(1) 13 16 ?
H1A N1 H1B 70.526(1) . 13 ?
H1A N1 H1A 109.468(1) 13 15 ?
H1A N1 H1A 38.949(1) 15 6 ?
H1A N1 H1A 70.532(1) 13 3 ?
H1A N1 H1A 70.532(1) 2 15 ?
H1A N1 H1A 109.468(1) 14 15 ?
H1A N1 H1A 56.250(1) 13 18 ?
H1A N1 H1A 180.0 3 15 ?
H1A N1 H1A 123.8 3 17 ?
H1A N1 H1A 109.468(1) . 2 ?
H1A N1 H1A 123.750(1) 13 6 ?
H1A N1 H1A 180.0 5 17 ?
H1A N1 H1A 70.532(1) 17 6 ?
H1A N1 H1A 109.468(1) 13 14 ?
H1A N1 H1A 70.532(1) 13 2 ?
H1A N1 H1A 38.949(1) 13 4 ?
H1A N1 H1A 38.949(1) 2 17 ?
H1A N1 H1A 56.2 2 4 ?
H1A N1 H1A 70.532(1) 4 17 ?
H1A N1 H1A 123.8 14 4 ?
H1A N1 H1A 141.052(1) . 4 ?
H1A N1 H1A 56.250(1) 3 4 ?
H1A N1 H1A 123.8 14 6 ?
H1A N1 H1A 56.2 . 6 ?
H1A N1 H1A 70.532(1) 16 6 ?
H1A N1 H1A 180.0 2 14 ?
H1A N1 H1A 123.750(1) . 18 ?
H1A N1 H1A 38.948(1) . 16 ?
H1A N1 H1A 70.532(1) 16 5 ?
H1A N1 H1A 123.8 2 18 ?
H1A N1 H1A 123.750(1) . 17 ?
H1A N1 H1A 56.2 14 18 ?
H1A N1 H1A 56.2 13 17 ?
H1A N1 H1A 141.051(1) 15 18 ?
H1A N1 H1A 141.051(1) 14 17 ?
H1A N1 H1A 109.468(1) 16 18 ?
H1A N1 H1A 56.250(1) 15 17 ?
H1A N1 H1A 109.468(1) 17 18 ?
H1A N1 H1A 109.468(1) 16 17 ?
H1A N1 H1A 56.250(1) 15 16 ?
H1A N1 H1A 109.468(1) 2 3 ?
H1A N1 H1A 180.0 4 16 ?
H1A N1 H1A 70.532(1) 14 3 ?
H1A N1 H1A 123.750(1) 15 4 ?
H1A N1 H1A 56.2 2 6 ?
H1A N1 H1A 56.2 . 5 ?
H1A N1 H1A 141.051(1) 3 6 ?
H1A N1 H1A 109.5 . 3 ?
H1A N1 H1A 109.468(1) 4 6 ?
H1A N1 H1A 123.8 13 5 ?
H1A N1 H1A 109.468(1) 5 6 ?
H1A N1 H1A 141.051(1) 2 5 ?
H1A N1 H1A 180.0 . 13 ?
H1A N1 H1A 38.949(1) 14 5 ?
H1A N1 H1A 70.5 . 15 ?
H1A N1 H1A 56.250(1) 3 5 ?
H1A N1 H1A 70.532(1) . 14 ?
H1A N1 H1A 109.468(1) 4 5 ?
H1A N1 H1A 38.949(1) 3 18 ?
H1A N1 H1A 141.051(1) 13 16 ?
H1A N1 H1A 70.532(1) 4 18 ?
H1A N1 H1A 123.8 2 16 ?
H1A N1 H1A 70.532(1) 5 18 ?
H1A N1 H1A 56.2 14 16 ?
H1A N1 H1A 180.0 6 18 ?
H1A N1 H1A 123.750(1) 3 16 ?
H1A N1 H1A 123.8 15 5 ?
H2 O2 H2A 180.0 . 13_656 ?
H2 O2 H2A 109.468(1) . 4_655 ?
H2 O2 H2A 70.532(1) . 16_556 ?
H2 O2 H2B 70.525(1) . 13_656 ?
H2 O2 H2B 70.529(1) . 16_556 ?
H2 O2 H2B 109.471(1) . 4_655 ?
H2A O2 H2B 109.470(1) 13_656 16_556 ?
H2A O2 H2B 109.474(1) 16_556 16_556 ?
H2A O2 H2B 70.526(1) 4_655 16_556 ?
H2B O2 H2B 180.0 4_655 16_556 ?
H2B O2 H2B 109.470(2) 13_656 16_556 ?
H2A N2 H2B 109.471(1) . . ?
H2A N2 H2B 70.526(1) 4_655 16_556 ?
H2A N2 H2B 109.474(1) 16_556 16_556 ?
H2A N2 H2B 70.532(1) . 16_556 ?
H2A N2 H2B 109.470(1) 13_656 16_556 ?
H2B N2 H2B 180.0 4_655 16_556 ?
H2B N2 H2B 70.528(1) . 16_556 ?
H2B N2 H2B 109.470(2) 13_656 16_556 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
As1 O1 1.7934(9) . ?
As1 O1 1.7934(9) 2_665 ?
As1 O1 1.7934(9) 3_565 ?
N1 H1B 0.90109(2) . ?
N1 H1B 0.90111(2) 13 ?
N1 H1A 0.900974(16) 4 ?
N1 H1A 0.900974(15) 3 ?
N1 H1A 0.900993(16) . ?
N1 H1A 0.900974(16) 16 ?
N1 H1A 0.900974(15) 15 ?
N1 H1A 0.900974(16) 17 ?
N1 H1A 0.900974(16) 14 ?
N1 H1A 0.900974(16) 5 ?
N1 H1A 0.900974(17) 13 ?
N1 H1A 0.900974(15) 18 ?
N1 H1A 0.900974(16) 2 ?
N1 H1A 0.900974(15) 6 ?
O2 H2 0.958400(13) . ?
O2 H2A 0.900961(14) 16_556 ?
O2 H2A 0.900962(15) 13_656 ?
O2 H2A 0.900961(14) 4_655 ?
O2 H2B 0.900964(16) 4_655 ?
O2 H2B 0.900964(16) 16_556 ?
O2 H2B 0.900964(15) 13_656 ?
N2 H2A 0.900962(15) 13_656 ?
N2 H2A 0.900961(14) 16_556 ?
N2 H2A 0.900961(14) 4_655 ?
N2 H2A 0.900946(11) . ?
N2 H2B 0.900964(16) 16_556 ?
N2 H2B 0.900964(16) 4_655 ?
N2 H2B 0.900957(16) . ?
N2 H2B 0.900964(15) 13_656 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 As1 O1 As1 -132.75(3) 3_565 . . 4_565 ?
O1 As1 O1 As1 132.74(3) 2_665 . . 4_565 ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0012 -0.0011 0.9998 -0.0313 0.0185 0.0428
-0.0012 0.0011 -0.9998 0.0313 -0.0185 -0.0428
1.9999 -1.0000 -0.0136 0.2039 -0.0488 0.1701
-1.9999 1.0000 0.0136 -0.2039 0.0488 -0.1701
0.9999 0.9999 -0.0018 0.1826 0.1923 0.0505
-0.9999 -0.9999 0.0018 -0.1826 -0.1923 -0.0505
-1.0000 1.9999 0.0118 -0.0213 0.2411 -0.1196
1.0000 -1.9999 -0.0118 0.0213 -0.2411 0.1196
