#------------------------------------------------------------------------------
#$Date: 2026-05-27 00:51:34 +0200 (Wed 27 de May de 2026) $
#$Revision: 306096 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/10/7721050.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_7721050
loop_
_publ_author_name
'Ahmad, Jalal'
'Atencio, Anyie P.'
'Ward, Jas S.'
'Engeser, Marianne'
'Rissanen, Kari'
'Angurell, Inmaculada'
'Rodriguez, Laura'
_publ_section_title
;
 Triphenylene Chromophore Enhances Emission in Au/Cu Heterometallic
 Complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D6DT00964F
_journal_year                    2026
_chemical_formula_moiety         'C74 H52 Au2 Cu2 N2 O P2, 2(C F3 O3 S)'
_chemical_formula_sum            'C76 H52 Au2 Cu2 F6 N2 O7 P2 S2'
_chemical_formula_weight         1866.27
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2024-07-31
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2026-01-05 deposited with the CCDC.	2026-05-26 downloaded from the CCDC.
;
_cell_angle_alpha                95.5170(10)
_cell_angle_beta                 91.2950(10)
_cell_angle_gamma                112.378(2)
_cell_formula_units_Z            2
_cell_length_a                   14.0784(3)
_cell_length_b                   15.9050(3)
_cell_length_c                   16.6057(2)
_cell_measurement_reflns_used    41505
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      76.6370
_cell_measurement_theta_min      2.6830
_cell_volume                     3415.27(12)
_computing_cell_refinement       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.90a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 100'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     41.00 117.00   0.50    0.20    --   52.75  69.00-120.00  152
  2  ω    -11.00  65.00   0.50    0.20    --   53.02 -69.00 106.00  152
  3  ω     41.00 118.00   0.50    0.20    --   53.02  69.00-120.00  154
  4  ω     38.00 114.00   0.50    0.60    --  101.85 -69.00 106.00  152
  5  ω     90.00 166.00   0.50    0.60    --  101.85  69.00-120.00  152
  6  ω    -18.00  14.00   0.50    0.20    --   14.00 102.00-105.17   64
  7  ω    -12.00  65.00   0.50    0.20    --   52.75 -69.00 106.00  154
  8  ω     34.00  98.00   0.50    0.20    --   53.02-125.00   0.00  128
  9  ω     34.00  98.00   0.50    0.20    --   53.02-125.00  90.00  128
 10  ω    -18.00  57.00   0.50    0.20    --   53.02 -37.00 -60.00  150
 11  ω     46.00 123.00   0.50    0.20    --   58.00  68.00  28.13  154
 12  ω     50.00 127.00   0.50    0.20    --   62.00  69.00 -98.46  154
 13  ω     50.00 127.00   0.50    0.20    --   62.00  68.00 -53.67  154
 14  ω     50.00 127.00   0.50    0.20    --   62.00  67.00 174.01  154
 15  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00 -60.00  126
 16  ω     34.00 112.00   0.50    0.60    --  101.85 -57.00 -90.00  156
 17  ω     85.00 163.00   0.50    0.60    --  101.85  77.00 -60.00  156
 18  ω     32.00 120.00   0.50    0.60    --  101.85 -19.00-120.00  176
 19  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00 -90.00  126
 20  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00   0.00  126
 21  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00-120.00  126
 22  ω     30.00 107.00   0.50    0.60    --  101.85 -37.00  60.00  154
 23  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00-150.00  126
 24  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00  90.00  126
 25  ω     83.00 172.00   0.50    0.60    --  101.85  19.00-180.00  178
 26  ω     38.00 111.00   0.50    0.60    --  101.85-125.00 -60.00  146
 27  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00 150.00  126
 28  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00-180.00  126
 29  ω     85.00 163.00   0.50    0.60    --  101.85  77.00-150.00  156
 30  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00 -30.00  126
 31  ω     30.00 107.00   0.50    0.60    --  101.85 -37.00   0.00  154
 32  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00  30.00  126
 33  ω     34.00 112.00   0.50    0.60    --  101.85 -57.00 150.00  156
 34  ω     85.00 163.00   0.50    0.60    --  101.85  77.00  90.00  156
 35  ω     92.00 170.00   0.50    0.60    --  101.85  57.00 -90.00  156
 36  ω     43.00 106.00   0.50    0.60    --  101.85 -99.00  60.00  126
 37  ω     92.00 170.00   0.50    0.60    --  101.85  57.00-150.00  156
 38  ω     38.00 111.00   0.50    0.60    --  101.85-125.00  90.00  146
 39  ω     38.00 111.00   0.50    0.60    --  101.85-125.00  30.00  146
 40  ω    100.00 176.00   0.50    0.60    --  106.00  44.00 177.30  152
 41  ω     45.00 108.00   0.50    0.60    --  107.75-109.00 142.24  126
 42  ω      2.00  28.00   0.50    0.20    --   30.00  97.00 159.23   52
 43  ω     13.00  42.00   0.50    0.20    --   38.00  91.00  17.34   58
 44  ω     57.00 135.00   0.50    0.20    --   74.00  77.00  54.45  156
 45  ω     67.00 143.00   0.50    0.20    --   78.00  62.00   6.76  152
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dualflex, HyPix-Arc 100'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0476816000
_diffrn_orient_matrix_UB_12      -0.0513253000
_diffrn_orient_matrix_UB_13      0.0724694000
_diffrn_orient_matrix_UB_21      0.0715704000
_diffrn_orient_matrix_UB_22      -0.0529430000
_diffrn_orient_matrix_UB_23      -0.0083099000
_diffrn_orient_matrix_UB_31      0.0816479000
_diffrn_orient_matrix_UB_32      0.0753500000
_diffrn_orient_matrix_UB_33      0.0583297000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            81902
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.502
_diffrn_reflns_theta_min         2.679
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    10.235
_exptl_absorpt_correction_T_max  0.780
_exptl_absorpt_correction_T_min  0.297
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.90a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_description       block
_exptl_crystal_F_000             1820
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane/hexane'
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.135
_refine_diff_density_min         -1.897
_refine_diff_density_rms         0.117
_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     898
_refine_ls_number_reflns         13937
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0317
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0390P)²+4.9481P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0821
_refine_ls_wR_factor_ref         0.0850
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12360
_reflns_number_total             13937
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00964f2.cif
_cod_data_source_block           Cu1b
_cod_original_cell_volume        3415.26(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7721050
_shelxl_version_number           2014/6
_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   0.685
_shelx_estimated_absorpt_t_min   0.260
_diffrn_oxdiff_digest_frames
;
01d3d037feb6356df8b71ddbacd3125cc106276b95a
;
_diffrn_oxdiff_digest_hkl
;
0116aa5f3565d9b48a943d683be0eb2a7e8da5
;
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 C2, C1, Cu2
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3. Others
 Fixed Uiso: H1A(0.044) H1B(0.044)
4.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11), C14(H14), C15(H15),
 C16(H16), C17(H17), C20(H20), C23(H23), C24(H24), C25(H25), C26(H26), C32(H32),
  C33(H33), C34(H34), C35(H35), C36(H36), C42(H42), C43(H43), C44(H44),
 C45(H45), C46(H46), C54(H54), C55(H55), C58(H58), C59(H59), C60(H60), C61(H61),
  C64(H64), C65(H65), C66(H66), C67(H67), C70(H70), C73(H73), C74(H74),
 C75(H75), C76(H76), C82(H82), C83(H83), C84(H84), C85(H85), C86(H86), C92(H92),
  C93(H93), C94(H94), C95(H95), C96(H96)
;
_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 1.587
_oxdiff_exptl_absorpt_empirical_full_min 0.682
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-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
Au1 Au 0.90546(2) 0.81644(2) 0.30350(2) 0.02521(5) Uani 1 1 d . . . . .
Au2 Au 0.53642(2) 0.65955(2) 0.32129(2) 0.02444(5) Uani 1 1 d . . . . .
Cu1 Cu 0.72546(4) 0.85025(4) 0.27780(3) 0.02592(12) Uani 1 1 d . . . . .
Cu2 Cu 0.69872(4) 0.62816(4) 0.25067(4) 0.02969(13) Uani 1 1 d . U . . .
S101 S 0.44995(8) 0.79347(7) 0.11189(6) 0.0321(2) Uani 1 1 d . . . . .
S111 S 0.85234(9) 0.73417(10) 0.01127(7) 0.0521(3) Uani 1 1 d . . . . .
P1 P 0.98827(7) 0.95812(6) 0.26529(6) 0.02499(19) Uani 1 1 d . . . . .
P2 P 0.44437(7) 0.51297(7) 0.26692(6) 0.02529(19) Uani 1 1 d . . . . .
F106 F 0.5718(2) 0.8930(3) 0.0101(2) 0.0630(9) Uani 1 1 d . . . . .
F107 F 0.4172(3) 0.8877(2) 0.00059(19) 0.0549(7) Uani 1 1 d . . . . .
F108 F 0.4501(3) 0.7723(2) -0.04666(17) 0.0557(8) Uani 1 1 d . . . . .
F116 F 0.7109(3) 0.7961(3) -0.0224(3) 0.0785(11) Uani 1 1 d . . . . .
F117 F 0.8026(3) 0.7862(2) -0.1228(2) 0.0699(10) Uani 1 1 d . . . . .
F118 F 0.8650(3) 0.8945(2) -0.0262(3) 0.0921(15) Uani 1 1 d . . . . .
O1 O 0.6915(2) 0.7392(2) 0.18309(18) 0.0292(6) Uani 1 1 d . . . . .
H1A H 0.735(5) 0.745(4) 0.156(4) 0.044 Uiso 1 1 d . . . . .
H1B H 0.644(5) 0.734(4) 0.162(3) 0.044 Uiso 1 1 d . . . . .
O102 O 0.5125(2) 0.7396(2) 0.11305(19) 0.0409(7) Uani 1 1 d . . . . .
O103 O 0.4844(2) 0.8743(2) 0.16927(19) 0.0420(7) Uani 1 1 d . . . . .
O104 O 0.3414(2) 0.7409(2) 0.1058(2) 0.0450(8) Uani 1 1 d . . . . .
O112 O 0.8506(3) 0.7690(4) 0.0950(2) 0.0771(15) Uani 1 1 d . . . . .
O113 O 0.7770(3) 0.6443(3) -0.0122(2) 0.0515(9) Uani 1 1 d . . . . .
O114 O 0.9538(3) 0.7538(3) -0.0155(2) 0.0674(13) Uani 1 1 d . . . . .
N22 N 0.8014(2) 0.9512(2) 0.2106(2) 0.0277(7) Uani 1 1 d . . . . .
N72 N 0.6036(3) 0.5275(2) 0.1723(2) 0.0311(7) Uani 1 1 d . . . . .
C1 C 0.8251(3) 0.6878(3) 0.3277(3) 0.0273(8) Uani 1 1 d . U . . .
C2 C 0.7842(3) 0.6086(3) 0.3437(3) 0.0320(9) Uani 1 1 d . U . . .
C3 C 0.7615(3) 0.5282(3) 0.3872(3) 0.0326(9) Uani 1 1 d . . . . .
C4 C 0.7940(3) 0.5415(3) 0.4700(3) 0.0359(9) Uani 1 1 d . . . . .
H4 H 0.8353 0.6012 0.4949 0.043 Uiso 1 1 calc R . . . .
C5 C 0.7665(3) 0.4690(3) 0.5147(3) 0.0350(9) Uani 1 1 d . . . . .
H5 H 0.7882 0.4796 0.5706 0.042 Uiso 1 1 calc R . . . .
C6 C 0.7072(3) 0.3792(3) 0.4804(3) 0.0313(8) Uani 1 1 d . . . . .
C7 C 0.6686(3) 0.3043(3) 0.5303(3) 0.0297(8) Uani 1 1 d . . . . .
C8 C 0.6836(3) 0.3190(3) 0.6155(3) 0.0312(8) Uani 1 1 d . . . . .
H8 H 0.7221 0.3790 0.6411 0.037 Uiso 1 1 calc R . . . .
C9 C 0.6432(3) 0.2477(3) 0.6626(3) 0.0361(9) Uani 1 1 d . . . . .
H9 H 0.6554 0.2587 0.7199 0.043 Uiso 1 1 calc R . . . .
C10 C 0.5851(3) 0.1604(3) 0.6260(3) 0.0362(9) Uani 1 1 d . . . . .
H10 H 0.5558 0.1117 0.6582 0.043 Uiso 1 1 calc R . . . .
C11 C 0.5699(3) 0.1443(3) 0.5425(3) 0.0345(9) Uani 1 1 d . . . . .
H11 H 0.5298 0.0840 0.5182 0.041 Uiso 1 1 calc R . . . .
C12 C 0.6122(3) 0.2145(3) 0.4921(3) 0.0298(8) Uani 1 1 d . . . . .
C13 C 0.6003(3) 0.1964(3) 0.4038(3) 0.0270(8) Uani 1 1 d . . . . .
C14 C 0.5561(3) 0.1062(3) 0.3647(3) 0.0324(9) Uani 1 1 d . . . . .
H14 H 0.5321 0.0564 0.3963 0.039 Uiso 1 1 calc R . . . .
C15 C 0.5472(3) 0.0893(3) 0.2810(3) 0.0385(10) Uani 1 1 d . . . . .
H15 H 0.5171 0.0282 0.2555 0.046 Uiso 1 1 calc R . . . .
C16 C 0.5826(4) 0.1621(3) 0.2343(3) 0.0357(9) Uani 1 1 d . . . . .
H16 H 0.5772 0.1507 0.1769 0.043 Uiso 1 1 calc R . . . .
C17 C 0.6253(3) 0.2509(3) 0.2717(3) 0.0359(9) Uani 1 1 d . . . . .
H17 H 0.6487 0.3001 0.2392 0.043 Uiso 1 1 calc R . . . .
C18 C 0.6351(3) 0.2700(3) 0.3563(3) 0.0306(8) Uani 1 1 d . . . . .
C19 C 0.6848(3) 0.3646(3) 0.3958(2) 0.0264(8) Uani 1 1 d . . . . .
C20 C 0.7090(3) 0.4404(3) 0.3517(3) 0.0327(9) Uani 1 1 d . . . . .
H20 H 0.6885 0.4305 0.2956 0.039 Uiso 1 1 calc R . . . .
C21 C 0.9032(3) 0.9864(3) 0.1977(2) 0.0262(8) Uani 1 1 d . . . . .
C23 C 0.7386(3) 0.9781(3) 0.1665(3) 0.0330(9) Uani 1 1 d . . . . .
H23 H 0.6670 0.9537 0.1747 0.040 Uiso 1 1 calc R . . . .
C24 C 0.7731(3) 1.0389(3) 0.1104(3) 0.0377(10) Uani 1 1 d . . . . .
H24 H 0.7264 1.0574 0.0819 0.045 Uiso 1 1 calc R . . . .
C25 C 0.8768(3) 1.0733(3) 0.0956(3) 0.0380(10) Uani 1 1 d . . . . .
H25 H 0.9021 1.1141 0.0558 0.046 Uiso 1 1 calc R . . . .
C26 C 0.9421(3) 1.0465(3) 0.1402(3) 0.0335(9) Uani 1 1 d . . . . .
H26 H 1.0135 1.0692 0.1316 0.040 Uiso 1 1 calc R . . . .
C31 C 1.0336(3) 1.0549(3) 0.3445(2) 0.0261(8) Uani 1 1 d . . . . .
C32 C 1.0654(3) 1.0398(3) 0.4192(3) 0.0305(8) Uani 1 1 d . . . . .
H32 H 1.0569 0.9797 0.4296 0.037 Uiso 1 1 calc R . . . .
C33 C 1.1099(3) 1.1130(3) 0.4791(3) 0.0342(9) Uani 1 1 d . . . . .
H33 H 1.1326 1.1031 0.5303 0.041 Uiso 1 1 calc R . . . .
C34 C 1.1211(3) 1.1999(3) 0.4641(3) 0.0339(9) Uani 1 1 d . . . . .
H34 H 1.1510 1.2497 0.5053 0.041 Uiso 1 1 calc R . . . .
C35 C 1.0889(3) 1.2147(3) 0.3896(3) 0.0348(9) Uani 1 1 d . . . . .
H35 H 1.0972 1.2748 0.3795 0.042 Uiso 1 1 calc R . . . .
C36 C 1.0445(3) 1.1421(3) 0.3293(3) 0.0307(8) Uani 1 1 d . . . . .
H36 H 1.0219 1.1521 0.2781 0.037 Uiso 1 1 calc R . . . .
C41 C 1.1025(3) 0.9690(3) 0.2108(2) 0.0284(8) Uani 1 1 d . . . . .
C42 C 1.0973(3) 0.8977(3) 0.1527(3) 0.0333(9) Uani 1 1 d . . . . .
H42 H 1.0335 0.8480 0.1385 0.040 Uiso 1 1 calc R . . . .
C43 C 1.1850(4) 0.8994(3) 0.1157(3) 0.0405(10) Uani 1 1 d . . . . .
H43 H 1.1813 0.8506 0.0764 0.049 Uiso 1 1 calc R . . . .
C44 C 1.2782(4) 0.9723(4) 0.1358(3) 0.0436(11) Uani 1 1 d . . . . .
H44 H 1.3384 0.9731 0.1106 0.052 Uiso 1 1 calc R . . . .
C45 C 1.2832(3) 1.0432(3) 0.1924(3) 0.0427(11) Uani 1 1 d . . . . .
H45 H 1.3472 1.0931 0.2057 0.051 Uiso 1 1 calc R . . . .
C46 C 1.1966(3) 1.0430(3) 0.2303(3) 0.0354(9) Uani 1 1 d . . . . .
H46 H 1.2008 1.0925 0.2690 0.042 Uiso 1 1 calc R . . . .
C51 C 0.6250(3) 0.7899(3) 0.3614(2) 0.0260(8) Uani 1 1 d . . . . .
C52 C 0.6712(3) 0.8715(3) 0.3881(2) 0.0280(8) Uani 1 1 d . . . . .
C53 C 0.7087(3) 0.9574(3) 0.4399(2) 0.0253(8) Uani 1 1 d . . . . .
C54 C 0.6939(3) 0.9589(3) 0.5236(3) 0.0304(8) Uani 1 1 d . . . . .
H54 H 0.6527 0.9043 0.5451 0.037 Uiso 1 1 calc R . . . .
C55 C 0.7392(3) 1.0391(3) 0.5741(3) 0.0302(8) Uani 1 1 d . . . . .
H55 H 0.7306 1.0388 0.6306 0.036 Uiso 1 1 calc R . . . .
C56 C 0.7984(3) 1.1224(3) 0.5437(2) 0.0272(8) Uani 1 1 d . . . . .
C57 C 0.8532(3) 1.2065(3) 0.5976(3) 0.0294(8) Uani 1 1 d . . . . .
C58 C 0.8543(3) 1.2077(3) 0.6824(3) 0.0370(10) Uani 1 1 d . . . . .
H58 H 0.8184 1.1526 0.7052 0.044 Uiso 1 1 calc R . . . .
C59 C 0.9061(4) 1.2866(3) 0.7330(3) 0.0424(11) Uani 1 1 d . . . . .
H59 H 0.9053 1.2861 0.7901 0.051 Uiso 1 1 calc R . . . .
C60 C 0.9598(3) 1.3674(3) 0.7000(3) 0.0405(11) Uani 1 1 d . . . . .
H60 H 0.9966 1.4219 0.7348 0.049 Uiso 1 1 calc R . . . .
C61 C 0.9596(3) 1.3686(3) 0.6175(3) 0.0378(10) Uani 1 1 d . . . . .
H61 H 0.9958 1.4245 0.5959 0.045 Uiso 1 1 calc R . . . .
C62 C 0.9069(3) 1.2885(3) 0.5641(3) 0.0327(9) Uani 1 1 d . . . . .
C63 C 0.9054(3) 1.2900(3) 0.4761(3) 0.0318(9) Uani 1 1 d . . . . .
C64 C 0.9529(3) 1.3714(3) 0.4396(3) 0.0380(10) Uani 1 1 d . . . . .
H64 H 0.9895 1.4268 0.4734 0.046 Uiso 1 1 calc R . . . .
C65 C 0.9481(4) 1.3733(3) 0.3574(3) 0.0425(11) Uani 1 1 d . . . . .
H65 H 0.9824 1.4289 0.3348 0.051 Uiso 1 1 calc R . . . .
C66 C 0.8928(3) 1.2935(3) 0.3072(3) 0.0387(10) Uani 1 1 d . . . . .
H66 H 0.8870 1.2947 0.2503 0.046 Uiso 1 1 calc R . . . .
C67 C 0.8465(3) 1.2124(3) 0.3402(3) 0.0335(9) Uani 1 1 d . . . . .
H67 H 0.8094 1.1579 0.3053 0.040 Uiso 1 1 calc R . . . .
C68 C 0.8529(3) 1.2087(3) 0.4243(3) 0.0295(8) Uani 1 1 d . . . . .
C69 C 0.8043(3) 1.1225(3) 0.4593(3) 0.0279(8) Uani 1 1 d . . . . .
C70 C 0.7618(3) 1.0390(3) 0.4095(3) 0.0278(8) Uani 1 1 d . . . . .
H70 H 0.7699 1.0387 0.3529 0.033 Uiso 1 1 calc R . . . .
C71 C 0.5008(3) 0.4834(3) 0.1755(2) 0.0273(8) Uani 1 1 d . . . . .
C73 C 0.6473(4) 0.5067(3) 0.1063(3) 0.0405(10) Uani 1 1 d . . . . .
H73 H 0.7195 0.5374 0.1033 0.049 Uiso 1 1 calc R . . . .
C74 C 0.5927(4) 0.4430(3) 0.0426(3) 0.0428(11) Uani 1 1 d . . . . .
H74 H 0.6268 0.4295 -0.0026 0.051 Uiso 1 1 calc R . . . .
C75 C 0.4879(4) 0.3993(3) 0.0458(3) 0.0384(10) Uani 1 1 d . . . . .
H75 H 0.4484 0.3554 0.0026 0.046 Uiso 1 1 calc R . . . .
C76 C 0.4408(3) 0.4204(3) 0.1129(3) 0.0323(9) Uani 1 1 d . . . . .
H76 H 0.3684 0.3919 0.1159 0.039 Uiso 1 1 calc R . . . .
C81 C 0.4332(3) 0.4258(3) 0.3334(2) 0.0268(8) Uani 1 1 d . . . . .
C82 C 0.4165(3) 0.4450(3) 0.4143(2) 0.0293(8) Uani 1 1 d . . . . .
H82 H 0.4192 0.5042 0.4335 0.035 Uiso 1 1 calc R . . . .
C83 C 0.3962(3) 0.3796(3) 0.4665(3) 0.0340(9) Uani 1 1 d . . . . .
H83 H 0.3848 0.3933 0.5215 0.041 Uiso 1 1 calc R . . . .
C84 C 0.3922(3) 0.2933(3) 0.4387(3) 0.0347(9) Uani 1 1 d . . . . .
H84 H 0.3783 0.2479 0.4749 0.042 Uiso 1 1 calc R . . . .
C85 C 0.4083(3) 0.2727(3) 0.3585(3) 0.0340(9) Uani 1 1 d . . . . .
H85 H 0.4054 0.2134 0.3398 0.041 Uiso 1 1 calc R . . . .
C86 C 0.4287(3) 0.3392(3) 0.3054(3) 0.0300(8) Uani 1 1 d . . . . .
H86 H 0.4395 0.3255 0.2502 0.036 Uiso 1 1 calc R . . . .
C91 C 0.3124(3) 0.4881(3) 0.2322(2) 0.0280(8) Uani 1 1 d . . . . .
C92 C 0.2932(4) 0.5539(3) 0.1920(3) 0.0357(9) Uani 1 1 d . . . . .
H92 H 0.3478 0.6098 0.1845 0.043 Uiso 1 1 calc R . . . .
C93 C 0.1936(4) 0.5366(4) 0.1634(3) 0.0434(11) Uani 1 1 d . . . . .
H93 H 0.1798 0.5811 0.1364 0.052 Uiso 1 1 calc R . . . .
C94 C 0.1142(4) 0.4551(4) 0.1738(3) 0.0473(12) Uani 1 1 d . . . . .
H94 H 0.0461 0.4440 0.1542 0.057 Uiso 1 1 calc R . . . .
C95 C 0.1333(3) 0.3902(4) 0.2123(3) 0.0440(11) Uani 1 1 d . . . . .
H95 H 0.0787 0.3337 0.2180 0.053 Uiso 1 1 calc R . . . .
C96 C 0.2321(3) 0.4066(3) 0.2431(3) 0.0359(9) Uani 1 1 d . . . . .
H96 H 0.2447 0.3624 0.2714 0.043 Uiso 1 1 calc R . . . .
C105 C 0.4737(4) 0.8380(3) 0.0140(3) 0.0415(10) Uani 1 1 d . . . . .
C115 C 0.8057(5) 0.8057(4) -0.0422(4) 0.0610(17) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
-8 8 0 0.0216
8 -8 0 0.0216
2 0 10 0.0876
-2 0 -10 0.0876
4 7 0 0.0710
-4 -7 0 0.0470
2 6 -8 0.0777
4 5 5 0.0765
-3 -6 7 0.0657
9 -2 1 0.0343
7 -1 -6 0.0533
8 -2 4 0.0509
3 -10 0 0.0328
-7 2 -7 0.0731
-6 0 8 0.0657
-7 -2 5 0.0543
-9 1 0 0.0389
8 0 -1 0.0464
-2 3 10 0.0874
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
P1 Au1 Cu1 84.94(3) . . ?
C1 Au1 Cu1 92.42(11) . . ?
C1 Au1 P1 174.89(12) . . ?
P2 Au2 Cu2 83.19(3) . . ?
C51 Au2 Cu2 92.76(11) . . ?
C51 Au2 P2 175.23(11) . . ?
O1 Cu1 Au1 82.80(9) . . ?
N22 Cu1 Au1 90.32(9) . . ?
N22 Cu1 O1 96.66(13) . . ?
N22 Cu1 C51 155.32(15) . . ?
N22 Cu1 C52 123.89(15) . . ?
C51 Cu1 Au1 108.20(11) . . ?
C51 Cu1 O1 101.63(14) . . ?
C51 Cu1 C52 35.29(16) . . ?
C52 Cu1 Au1 108.56(11) . . ?
C52 Cu1 O1 136.86(14) . . ?
O1 Cu2 Au2 79.19(8) . . ?
N72 Cu2 Au2 91.97(10) . . ?
N72 Cu2 O1 94.96(13) . . ?
N72 Cu2 C1 153.66(15) . . ?
N72 Cu2 C2 123.80(16) . . ?
C1 Cu2 Au2 108.22(12) . . ?
C1 Cu2 O1 105.12(13) . . ?
C1 Cu2 C2 35.08(16) . . ?
C2 Cu2 Au2 106.09(12) . . ?
C2 Cu2 O1 140.05(14) . . ?
O102 S101 C105 102.6(2) . . ?
O103 S101 O102 114.8(2) . . ?
O103 S101 C105 103.8(2) . . ?
O104 S101 O102 114.4(2) . . ?
O104 S101 O103 115.6(2) . . ?
O104 S101 C105 103.3(2) . . ?
O112 S111 C115 101.5(3) . . ?
O113 S111 O112 114.3(3) . . ?
O113 S111 O114 117.1(3) . . ?
O113 S111 C115 103.2(2) . . ?
O114 S111 O112 113.9(2) . . ?
O114 S111 C115 104.2(3) . . ?
C21 P1 Au1 110.33(13) . . ?
C31 P1 Au1 117.82(13) . . ?
C31 P1 C21 103.75(18) . . ?
C41 P1 Au1 113.30(14) . . ?
C41 P1 C21 106.67(18) . . ?
C41 P1 C31 104.00(18) . . ?
C71 P2 Au2 111.12(13) . . ?
C81 P2 Au2 115.38(13) . . ?
C81 P2 C71 106.30(18) . . ?
C91 P2 Au2 115.70(13) . . ?
C91 P2 C71 103.33(18) . . ?
C91 P2 C81 103.87(18) . . ?
Cu1 O1 Cu2 102.04(12) . . ?
C21 N22 Cu1 128.5(3) . . ?
C23 N22 Cu1 113.4(3) . . ?
C23 N22 C21 117.6(3) . . ?
C71 N72 Cu2 127.5(3) . . ?
C73 N72 Cu2 114.7(3) . . ?
C73 N72 C71 117.6(4) . . ?
Au1 C1 Cu2 110.41(19) . . ?
C2 C1 Au1 174.4(3) . . ?
C2 C1 Cu2 74.1(3) . . ?
C1 C2 Cu2 70.9(3) . . ?
C1 C2 C3 159.9(4) . . ?
C3 C2 Cu2 128.7(3) . . ?
C4 C3 C2 118.4(4) . . ?
C20 C3 C2 123.3(4) . . ?
C20 C3 C4 118.2(4) . . ?
C5 C4 C3 120.3(4) . . ?
C4 C5 C6 122.1(4) . . ?
C5 C6 C7 121.5(4) . . ?
C5 C6 C19 117.4(4) . . ?
C19 C6 C7 121.1(4) . . ?
C8 C7 C6 121.7(4) . . ?
C8 C7 C12 119.2(4) . . ?
C12 C7 C6 119.0(4) . . ?
C9 C8 C7 121.3(4) . . ?
C10 C9 C8 119.8(4) . . ?
C11 C10 C9 119.9(4) . . ?
C10 C11 C12 122.1(4) . . ?
C7 C12 C13 120.4(4) . . ?
C11 C12 C7 117.7(4) . . ?
C11 C12 C13 122.0(4) . . ?
C14 C13 C12 121.1(4) . . ?
C14 C13 C18 119.1(4) . . ?
C18 C13 C12 119.7(4) . . ?
C15 C14 C13 121.0(4) . . ?
C14 C15 C16 119.8(4) . . ?
C17 C16 C15 120.0(4) . . ?
C16 C17 C18 121.4(4) . . ?
C13 C18 C19 120.0(4) . . ?
C17 C18 C13 118.7(4) . . ?
C17 C18 C19 121.2(4) . . ?
C6 C19 C18 118.9(4) . . ?
C20 C19 C6 119.3(4) . . ?
C20 C19 C18 121.8(4) . . ?
C3 C20 C19 122.0(4) . . ?
N22 C21 P1 116.7(3) . . ?
N22 C21 C26 121.8(4) . . ?
C26 C21 P1 121.4(3) . . ?
N22 C23 C24 123.1(4) . . ?
C23 C24 C25 119.5(4) . . ?
C26 C25 C24 118.2(4) . . ?
C25 C26 C21 119.9(4) . . ?
C32 C31 P1 117.3(3) . . ?
C36 C31 P1 121.9(3) . . ?
C36 C31 C32 120.5(4) . . ?
C31 C32 C33 119.6(4) . . ?
C34 C33 C32 120.0(4) . . ?
C33 C34 C35 120.2(4) . . ?
C34 C35 C36 120.2(4) . . ?
C31 C36 C35 119.4(4) . . ?
C42 C41 P1 118.4(3) . . ?
C42 C41 C46 119.6(4) . . ?
C46 C41 P1 121.8(3) . . ?
C43 C42 C41 120.1(4) . . ?
C42 C43 C44 120.2(4) . . ?
C45 C44 C43 119.8(4) . . ?
C44 C45 C46 121.0(4) . . ?
C45 C46 C41 119.3(4) . . ?
Au2 C51 Cu1 111.34(18) . . ?
C52 C51 Au2 173.9(3) . . ?
C52 C51 Cu1 72.8(3) . . ?
C51 C52 Cu1 72.0(3) . . ?
C51 C52 C53 163.2(4) . . ?
C53 C52 Cu1 124.7(3) . . ?
C54 C53 C52 120.1(4) . . ?
C70 C53 C52 121.3(4) . . ?
C70 C53 C54 118.5(4) . . ?
C55 C54 C53 120.0(4) . . ?
C54 C55 C56 121.6(4) . . ?
C55 C56 C57 121.9(4) . . ?
C69 C56 C55 118.2(4) . . ?
C69 C56 C57 119.9(4) . . ?
C58 C57 C56 121.5(4) . . ?
C58 C57 C62 118.9(4) . . ?
C62 C57 C56 119.6(4) . . ?
C59 C58 C57 121.5(5) . . ?
C58 C59 C60 119.6(5) . . ?
C61 C60 C59 120.3(4) . . ?
C60 C61 C62 121.3(4) . . ?
C57 C62 C61 118.3(4) . . ?
C57 C62 C63 120.3(4) . . ?
C61 C62 C63 121.4(4) . . ?
C64 C63 C62 122.5(4) . . ?
C68 C63 C62 120.0(4) . . ?
C68 C63 C64 117.5(4) . . ?
C65 C64 C63 122.4(4) . . ?
C64 C65 C66 119.6(4) . . ?
C67 C66 C65 119.9(4) . . ?
C66 C67 C68 121.3(4) . . ?
C63 C68 C69 119.4(4) . . ?
C67 C68 C63 119.3(4) . . ?
C67 C68 C69 121.3(4) . . ?
C56 C69 C68 120.3(4) . . ?
C70 C69 C56 118.8(4) . . ?
C70 C69 C68 120.9(4) . . ?
C53 C70 C69 122.4(4) . . ?
N72 C71 P2 116.3(3) . . ?
N72 C71 C76 122.1(4) . . ?
C76 C71 P2 121.6(3) . . ?
N72 C73 C74 123.3(4) . . ?
C75 C74 C73 118.6(4) . . ?
C74 C75 C76 119.1(4) . . ?
C71 C76 C75 119.1(4) . . ?
C82 C81 P2 116.9(3) . . ?
C86 C81 P2 123.0(3) . . ?
C86 C81 C82 119.7(4) . . ?
C83 C82 C81 120.7(4) . . ?
C82 C83 C84 119.7(4) . . ?
C85 C84 C83 120.5(4) . . ?
C84 C85 C86 119.8(4) . . ?
C81 C86 C85 119.6(4) . . ?
C92 C91 P2 117.5(3) . . ?
C96 C91 P2 122.4(3) . . ?
C96 C91 C92 120.0(4) . . ?
C93 C92 C91 119.1(4) . . ?
C94 C93 C92 120.6(5) . . ?
C95 C94 C93 120.2(4) . . ?
C94 C95 C96 120.4(5) . . ?
C91 C96 C95 119.6(4) . . ?
F106 C105 S101 111.7(3) . . ?
F106 C105 F107 106.7(4) . . ?
F107 C105 S101 111.0(3) . . ?
F108 C105 S101 112.2(3) . . ?
F108 C105 F106 107.9(4) . . ?
F108 C105 F107 107.0(4) . . ?
F116 C115 S111 111.4(4) . . ?
F116 C115 F117 107.8(6) . . ?
F117 C115 S111 111.9(4) . . ?
F118 C115 S111 112.6(5) . . ?
F118 C115 F116 106.8(5) . . ?
F118 C115 F117 106.0(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
Au1 Cu1 2.8153(6) . ?
Au1 P1 2.2689(10) . ?
Au1 C1 2.010(4) . ?
Au2 Cu2 2.7789(6) . ?
Au2 P2 2.2742(9) . ?
Au2 C51 2.007(4) . ?
Cu1 O1 2.147(3) . ?
Cu1 N22 2.014(3) . ?
Cu1 C51 2.039(4) . ?
Cu1 C52 2.048(4) . ?
Cu2 O1 2.214(3) . ?
Cu2 N72 1.984(3) . ?
Cu2 C1 2.020(4) . ?
Cu2 C2 2.056(4) . ?
S101 O102 1.444(3) . ?
S101 O103 1.437(3) . ?
S101 O104 1.432(3) . ?
S101 C105 1.822(5) . ?
S111 O112 1.450(4) . ?
S111 O113 1.428(4) . ?
S111 O114 1.432(4) . ?
S111 C115 1.804(8) . ?
P1 C21 1.828(4) . ?
P1 C31 1.825(4) . ?
P1 C41 1.822(4) . ?
P2 C71 1.832(4) . ?
P2 C81 1.818(4) . ?
P2 C91 1.814(4) . ?
F106 C105 1.331(6) . ?
F107 C105 1.347(6) . ?
F108 C105 1.318(6) . ?
F116 C115 1.336(7) . ?
F117 C115 1.340(7) . ?
F118 C115 1.335(6) . ?
N22 C21 1.357(5) . ?
N22 C23 1.350(5) . ?
N72 C71 1.351(5) . ?
N72 C73 1.345(6) . ?
C1 C2 1.229(6) . ?
C2 C3 1.461(6) . ?
C3 C4 1.410(6) . ?
C3 C20 1.372(6) . ?
C4 C5 1.367(6) . ?
C5 C6 1.406(6) . ?
C6 C7 1.454(6) . ?
C6 C19 1.410(6) . ?
C7 C8 1.410(6) . ?
C7 C12 1.417(6) . ?
C8 C9 1.387(6) . ?
C9 C10 1.385(7) . ?
C10 C11 1.381(6) . ?
C11 C12 1.414(6) . ?
C12 C13 1.461(6) . ?
C13 C14 1.410(6) . ?
C13 C18 1.411(6) . ?
C14 C15 1.383(6) . ?
C15 C16 1.394(6) . ?
C16 C17 1.382(6) . ?
C17 C18 1.401(6) . ?
C18 C19 1.474(6) . ?
C19 C20 1.404(6) . ?
C21 C26 1.388(6) . ?
C23 C24 1.369(6) . ?
C24 C25 1.387(6) . ?
C25 C26 1.380(6) . ?
C31 C32 1.383(6) . ?
C31 C36 1.383(6) . ?
C32 C33 1.388(6) . ?
C33 C34 1.378(6) . ?
C34 C35 1.381(6) . ?
C35 C36 1.388(6) . ?
C41 C42 1.394(6) . ?
C41 C46 1.402(6) . ?
C42 C43 1.384(6) . ?
C43 C44 1.387(7) . ?
C44 C45 1.376(7) . ?
C45 C46 1.384(6) . ?
C51 C52 1.239(6) . ?
C52 C53 1.446(5) . ?
C53 C54 1.409(6) . ?
C53 C70 1.379(6) . ?
C54 C55 1.375(6) . ?
C55 C56 1.417(6) . ?
C56 C57 1.462(5) . ?
C56 C69 1.408(6) . ?
C57 C58 1.406(6) . ?
C57 C62 1.410(6) . ?
C58 C59 1.374(6) . ?
C59 C60 1.390(7) . ?
C60 C61 1.372(7) . ?
C61 C62 1.413(6) . ?
C62 C63 1.464(6) . ?
C63 C64 1.414(6) . ?
C63 C68 1.409(6) . ?
C64 C65 1.370(7) . ?
C65 C66 1.388(7) . ?
C66 C67 1.378(6) . ?
C67 C68 1.407(6) . ?
C68 C69 1.462(6) . ?
C69 C70 1.402(6) . ?
C71 C76 1.383(5) . ?
C73 C74 1.378(6) . ?
C74 C75 1.375(7) . ?
C75 C76 1.388(6) . ?
C81 C82 1.394(6) . ?
C81 C86 1.387(6) . ?
C82 C83 1.368(6) . ?
C83 C84 1.385(6) . ?
C84 C85 1.385(6) . ?
C85 C86 1.393(6) . ?
C91 C92 1.399(6) . ?
C91 C96 1.388(6) . ?
C92 C93 1.385(6) . ?
C93 C94 1.381(8) . ?
C94 C95 1.369(8) . ?
C95 C96 1.389(6) . ?
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
-8.0142 8.0194 0.0455 -0.0262 -0.9985 -0.0474
8.0142 -8.0194 -0.0455 0.0262 0.9985 0.0474
1.6474 -0.4725 10.4540 0.7033 0.0560 0.7087
-1.6474 0.4725 -10.4540 -0.7033 -0.0560 -0.7087
4.2573 6.5571 -0.0655 -0.5443 -0.0419 0.8379
-4.2573 -6.5571 0.0655 0.5443 0.0419 -0.8379
2.0094 5.9971 -7.9877 -0.9825 -0.1073 0.1500
3.9957 5.0163 5.0040 -0.0854 -0.0212 0.9961
-3.0079 -5.9987 6.9869 0.9576 0.0443 -0.2900
8.9929 -2.0020 1.0140 -0.2526 0.7412 0.6426
7.0010 -1.0115 -5.9829 -0.7155 0.6043 0.1464
7.9907 -1.9971 4.0097 0.0121 0.6443 0.7358
2.9931 -10.0168 0.0022 0.3716 0.7445 -0.5103
-6.9885 1.9923 -7.0053 -0.2767 -0.5474 -0.8291
-6.0039 0.0130 7.9826 0.8641 -0.4967 -0.0236
-7.0017 -1.9951 4.9829 0.7974 -0.4369 -0.4314
-8.9943 1.0019 -0.0152 0.3763 -0.6966 -0.6598
7.9964 -0.0018 -0.9853 -0.4526 0.5806 0.5953
-2.0065 3.0211 9.9886 0.6645 -0.3866 0.6465
