#------------------------------------------------------------------------------
#$Date: 2023-07-20 01:57:53 +0300 (Thu, 20 Jul 2023) $
#$Revision: 285280 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/35/7713504.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7713504
loop_
_publ_author_name
'Kikuchi, Kazuma'
'Imoto, Hiroaki'
'Naka, Kensuke'
_publ_section_title
;
 Robust and highly emissive copper(I) halide 1D-coordination polymers with
 triphenylarsine and a series of bridging N-heteroaromatic co-ligands
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00784G
_journal_year                    2023
_chemical_formula_moiety         'C20.5 H18 As Br Cu N, C2 H3 N'
_chemical_formula_sum            'C22.5 H21 As Br Cu N2'
_chemical_formula_weight         537.78
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-04-28
_audit_creation_method
;
Olex2 1.5-ac5-024
(compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498)
;
_audit_update_record
;
2023-05-31 deposited with the CCDC.	2023-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.962(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0610(3)
_cell_length_b                   17.9990(8)
_cell_length_c                   13.5485(7)
_cell_measurement_reflns_used    2574
_cell_measurement_temperature    298.15
_cell_measurement_theta_max      25.2700
_cell_measurement_theta_min      2.8940
_cell_volume                     2206.66(17)
_computing_cell_refinement       'CrysAlisPro 1.171.42.84a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.84a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.84a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      298.15
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -72.00 112.00   0.10    7.50    --   30.00  54.00-180.00 1840
  2  ω     55.00  93.00   0.10    7.50    --   30.00  54.00  30.00  380
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini (JP)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0064163000
_diffrn_orient_matrix_UB_12      -0.0175840000
_diffrn_orient_matrix_UB_13      0.0468604000
_diffrn_orient_matrix_UB_21      0.0375046000
_diffrn_orient_matrix_UB_22      -0.0302018000
_diffrn_orient_matrix_UB_23      -0.0211701000
_diffrn_orient_matrix_UB_31      0.0685152000
_diffrn_orient_matrix_UB_32      0.0182048000
_diffrn_orient_matrix_UB_33      0.0102580000
_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  0.0259
_diffrn_reflns_av_unetI/netI     0.0587
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.886
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            12225
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.662
_diffrn_reflns_theta_min         2.519
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    4.298
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.50188
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.84a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_description       plate
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.399
_exptl_crystal_size_mid          0.251
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.724
_refine_diff_density_min         -0.783
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         7181
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.1233
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0440P)²+1.3162P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.1231
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3757
_reflns_number_total             7181
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00784g2.cif
_cod_data_source_block           '[Cu2Br2(AsPh3)2(meprz)]n_298K'
_cod_original_formula_sum        'C22.50 H21 As Br Cu N2'
_cod_database_code               7713504
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         CHAsCuBrN
_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   0.480
_shelx_estimated_absorpt_t_min   0.279
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C23A-N2A \\sim C23B-N2B
 with sigma of 0.02
 C22A-C23A \\sim C22B-C23B
 with sigma of 0.04
 C22A-N2A \\sim C22B-N2B
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C23A \\sim C22A \\sim N2A: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
C22B \\sim N2B \\sim C23B: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
4. Rigid body (RIGU) restrains
 C23A, C22A, N2A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N2B, C22B, C23B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C21, C19, N1, C20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C23B, C22B, N2B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: H19(0.5) C22A(0.5) C21(0.5) H21A(0.5) H21B(0.5) H21C(0.5)
 C23A(0.5) H23A(0.5) H23B(0.5) H23C(0.5) N2A(0.5) N2B(0.5) C22B(0.5) C23B(0.5)
 H23D(0.5) H23E(0.5) H23F(0.5)
6.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C19(H19), C20(H20), C14(H14), C5(H5), C2(H2), C9(H9), C4(H4),
 C12(H12), C18(H18), C3(H3), C10(H10), C17(H17), C15(H15), C16(H16), C11(H11)
6.b Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C23A(H23A,H23B,H23C), C23B(H23D,H23E,H23F)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.704
_oxdiff_exptl_absorpt_empirical_full_min 0.765
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.60109(4) 0.50462(2) 0.74346(3) 0.03900(11) Uani 1 1 d . . . . .
Br1 Br 0.48802(5) 0.60952(2) 0.49314(3) 0.05675(14) Uani 1 1 d . . . . .
Cu1 Cu 0.63981(5) 0.50752(3) 0.57279(4) 0.05001(15) Uani 1 1 d . . . . .
N1 N 0.8535(3) 0.50508(18) 0.5267(2) 0.0476(8) Uani 1 1 d . . . . .
C1 C 0.6465(4) 0.5925(2) 0.8229(3) 0.0411(8) Uani 1 1 d . . . . .
C13 C 0.3951(4) 0.4885(2) 0.7731(3) 0.0409(8) Uani 1 1 d . . . . .
C6 C 0.5546(4) 0.6206(2) 0.8922(3) 0.0529(10) Uani 1 1 d . . . . .
H6 H 0.464574 0.597497 0.901755 0.064 Uiso 1 1 calc R U . . .
C7 C 0.6999(4) 0.4280(2) 0.8251(3) 0.0460(9) Uani 1 1 d . . . . .
C8 C 0.7446(4) 0.4393(2) 0.9227(3) 0.0503(10) Uani 1 1 d . . . . .
H8 H 0.725374 0.484526 0.952704 0.060 Uiso 1 1 calc R U . . .
C19 C 0.9317(4) 0.5658(2) 0.5044(3) 0.0552(11) Uani 1 1 d . . . . .
H19 H 0.887913 0.612426 0.507271 0.066 Uiso 0.5 1 calc R U P A 2
C20 C 0.9239(4) 0.4402(2) 0.5225(3) 0.0559(11) Uani 1 1 d . . . . .
H20 H 0.873581 0.397164 0.538468 0.067 Uiso 1 1 calc R U . . .
C14 C 0.3531(4) 0.4398(2) 0.8435(3) 0.0583(11) Uani 1 1 d . . . . .
H14 H 0.424232 0.411965 0.878854 0.070 Uiso 1 1 calc R U . . .
C5 C 0.5948(5) 0.6823(2) 0.9473(4) 0.0630(12) Uani 1 1 d . . . . .
H5 H 0.530760 0.700999 0.992634 0.076 Uiso 1 1 calc R U . . .
C2 C 0.7801(4) 0.6279(2) 0.8111(3) 0.0537(10) Uani 1 1 d . . . . .
H2 H 0.843220 0.610061 0.764562 0.064 Uiso 1 1 calc R U . . .
C9 C 0.8179(5) 0.3839(3) 0.9763(3) 0.0607(12) Uani 1 1 d . . . . .
H9 H 0.848274 0.392095 1.041984 0.073 Uiso 1 1 calc R U . . .
C4 C 0.7268(6) 0.7162(3) 0.9361(4) 0.0686(14) Uani 1 1 d . . . . .
H4 H 0.753612 0.757308 0.974567 0.082 Uiso 1 1 calc R U . . .
C12 C 0.7297(5) 0.3611(2) 0.7817(4) 0.0675(13) Uani 1 1 d . . . . .
H12 H 0.702000 0.353298 0.715505 0.081 Uiso 1 1 calc R U . . .
C18 C 0.2892(4) 0.5293(3) 0.7199(3) 0.0591(11) Uani 1 1 d . . . . .
H18 H 0.316747 0.562357 0.671387 0.071 Uiso 1 1 calc R U . . .
C3 C 0.8213(5) 0.6894(3) 0.8675(4) 0.0667(13) Uani 1 1 d . . . . .
H3 H 0.911670 0.712502 0.859228 0.080 Uiso 1 1 calc R U . . .
C10 C 0.8457(5) 0.3175(3) 0.9332(4) 0.0722(14) Uani 1 1 d . . . . .
H10 H 0.895229 0.280455 0.969460 0.087 Uiso 1 1 calc R U . . .
C17 C 0.1408(4) 0.5206(3) 0.7394(4) 0.0725(14) Uani 1 1 d . . . . .
H17 H 0.069084 0.548249 0.704212 0.087 Uiso 1 1 calc R U . . .
C15 C 0.2045(5) 0.4315(3) 0.8631(4) 0.0724(14) Uani 1 1 d . . . . .
H15 H 0.176441 0.398929 0.912038 0.087 Uiso 1 1 calc R U . . .
C16 C 0.1003(4) 0.4718(3) 0.8096(4) 0.0725(14) Uani 1 1 d . . . . .
H16 H 0.000853 0.465663 0.821356 0.087 Uiso 1 1 calc R U . . .
C11 C 0.8007(6) 0.3051(3) 0.8360(5) 0.0880(18) Uani 1 1 d . . . . .
H11 H 0.817967 0.259357 0.806821 0.106 Uiso 1 1 calc R U . . .
C22A C 0.172(5) 0.740(3) 0.734(3) 0.177(16) Uani 0.5 1 d D U P B 1
C21 C 0.8664(11) 0.6420(5) 0.5081(11) 0.104(5) Uani 0.5 1 d . . P C 1
H21A H 0.781174 0.644730 0.463106 0.156 Uiso 0.5 1 calc R U P C 1
H21B H 0.938332 0.677835 0.489437 0.156 Uiso 0.5 1 calc R U P C 1
H21C H 0.837927 0.652265 0.573931 0.156 Uiso 0.5 1 calc R U P C 1
C23A C 0.257(2) 0.7779(12) 0.8062(14) 0.153(8) Uani 0.5 1 d D U P B 1
H23A H 0.353165 0.787709 0.782511 0.230 Uiso 0.5 1 calc R U P B 1
H23B H 0.266837 0.748022 0.864876 0.230 Uiso 0.5 1 calc R U P B 1
H23C H 0.209738 0.823975 0.821037 0.230 Uiso 0.5 1 calc R U P B 1
N2A N 0.130(4) 0.709(2) 0.665(3) 0.190(16) Uani 0.5 1 d D U P B 1
N2B N 0.074(3) 0.7134(17) 0.668(2) 0.133(8) Uani 0.5 1 d D U P D 2
C22B C 0.186(4) 0.728(2) 0.706(3) 0.133(12) Uani 0.5 1 d D U P D 2
C23B C 0.333(2) 0.7408(12) 0.7367(19) 0.218(12) Uani 0.5 1 d D U P D 2
H23D H 0.384361 0.760797 0.682660 0.327 Uiso 0.5 1 calc R U P D 2
H23E H 0.377710 0.694925 0.757998 0.327 Uiso 0.5 1 calc R U P D 2
H23F H 0.336846 0.775615 0.790534 0.327 Uiso 0.5 1 calc R U P D 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 1 0 0.1928
-1 2 1 0.1354
2 -2 -1 0.1385
-2 -1 0 0.1288
1 -2 -1 0.1022
-1 1 2 0.1201
1 -1 -2 0.1272
0 0 1 0.1092
0 0 -1 0.1424
1 2 -1 0.1342
-1 -2 1 0.1088
0 -2 1 0.0742
0 2 -1 0.1257
0 1 0 0.1281
0 -1 0 0.0743
0 2 1 0.1022
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
C1 As1 Cu1 119.14(11) . . ?
C1 As1 C13 100.61(15) . . ?
C1 As1 C7 100.55(16) . . ?
C13 As1 Cu1 113.43(11) . . ?
C13 As1 C7 101.15(15) . . ?
C7 As1 Cu1 118.91(12) . . ?
Cu1 Br1 Cu1 76.95(2) . 3_666 ?
As1 Cu1 Br1 103.77(2) . 3_666 ?
As1 Cu1 Br1 109.43(2) . . ?
Br1 Cu1 Br1 103.05(2) . 3_666 ?
N1 Cu1 As1 119.06(10) . . ?
N1 Cu1 Br1 112.81(9) . . ?
N1 Cu1 Br1 107.04(9) . 3_666 ?
C19 N1 Cu1 124.3(3) . . ?
C20 N1 Cu1 119.3(3) . . ?
C20 N1 C19 116.3(3) . . ?
C6 C1 As1 123.7(3) . . ?
C6 C1 C2 118.1(4) . . ?
C2 C1 As1 118.1(3) . . ?
C14 C13 As1 123.0(3) . . ?
C14 C13 C18 119.6(3) . . ?
C18 C13 As1 117.4(3) . . ?
C5 C6 C1 120.7(4) . . ?
C8 C7 As1 122.8(3) . . ?
C12 C7 As1 118.1(3) . . ?
C12 C7 C8 119.1(4) . . ?
C7 C8 C9 120.4(4) . . ?
N1 C19 C20 120.9(4) . 3_766 ?
N1 C19 C21 121.6(5) . . ?
C20 C19 C21 117.5(5) 3_766 . ?
N1 C20 C19 122.8(4) . 3_766 ?
C13 C14 C15 120.7(4) . . ?
C4 C5 C6 120.8(5) . . ?
C1 C2 C3 121.1(4) . . ?
C10 C9 C8 120.2(4) . . ?
C5 C4 C3 119.8(4) . . ?
C7 C12 C11 120.5(4) . . ?
C13 C18 C17 119.5(4) . . ?
C4 C3 C2 119.4(4) . . ?
C9 C10 C11 120.1(4) . . ?
C16 C17 C18 120.2(4) . . ?
C16 C15 C14 119.3(4) . . ?
C17 C16 C15 120.7(4) . . ?
C10 C11 C12 119.7(5) . . ?
N2A C22A C23A 165(5) . . ?
N2B C22B C23B 169(5) . . ?
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 Cu1 2.3571(6) . ?
As1 C1 1.946(4) . ?
As1 C13 1.951(3) . ?
As1 C7 1.956(4) . ?
Br1 Cu1 2.5437(7) 3_666 ?
Br1 Cu1 2.5047(6) . ?
Cu1 N1 2.065(3) . ?
N1 C19 1.345(5) . ?
N1 C20 1.333(5) . ?
C1 C6 1.382(5) . ?
C1 C2 1.385(5) . ?
C13 C14 1.364(5) . ?
C13 C18 1.382(5) . ?
C6 C5 1.376(6) . ?
C7 C8 1.378(5) . ?
C7 C12 1.372(6) . ?
C8 C9 1.383(5) . ?
C19 C20 1.381(5) 3_766 ?
C19 C21 1.495(10) . ?
C14 C15 1.394(5) . ?
C5 C4 1.358(6) . ?
C2 C3 1.386(6) . ?
C9 C10 1.359(6) . ?
C4 C3 1.383(7) . ?
C12 C11 1.386(6) . ?
C18 C17 1.392(5) . ?
C10 C11 1.377(7) . ?
C17 C16 1.359(7) . ?
C15 C16 1.368(7) . ?
C22A C23A 1.40(3) . ?
C22A N2A 1.13(3) . ?
N2B C22B 1.14(3) . ?
C22B C23B 1.39(3) . ?
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
1.9998 1.0010 -0.0002 -0.0048 0.0448 0.1552
-0.9999 2.0007 1.0006 0.0053 -0.1191 -0.0218
1.9998 -2.0003 -1.0008 0.0011 0.1566 0.0903
-1.9998 -1.0010 0.0002 0.0048 -0.0448 -0.1552
0.9999 -2.0007 -1.0006 -0.0053 0.1191 0.0218
-0.9998 1.0012 2.0008 0.0697 -0.1101 -0.0298
0.9998 -1.0012 -2.0008 -0.0697 0.1101 0.0298
0.0001 0.0007 1.0003 0.0469 -0.0212 0.0103
-0.0001 -0.0007 -1.0003 -0.0469 0.0212 -0.0103
0.9999 2.0002 -1.0003 -0.0756 -0.0017 0.0947
-0.9999 -2.0002 1.0003 0.0756 0.0017 -0.0947
0.0001 -1.9997 1.0001 0.0820 0.0392 -0.0261
-0.0001 1.9997 -1.0001 -0.0820 -0.0392 0.0261
-0.0000 1.0002 0.0001 -0.0176 -0.0302 0.0182
0.0000 -1.0002 -0.0001 0.0176 0.0302 -0.0182
0.0000 2.0011 1.0005 0.0117 -0.0816 0.0467
