#------------------------------------------------------------------------------
#$Date: 2025-03-04 19:55:39 +0100 (Tue 04 de Mar de 2025) $
#$Revision: 298088 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/31/1573162.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_1573162
loop_
_publ_author_name
'Merschel, Arne'
'Heda, Shkelqim'
'Vishnevskiy, Yury V.'
'Neumann, Beate'
'Stammler, Hans-Georg'
'Ghadwal, Rajendra S.'
_publ_section_title
;
 Annulated carbocyclic gallylene and bis-gallylene with two-coordinated
 Ga(i) atoms.
;
_journal_issue                   5
_journal_name_full               'Chemical science'
_journal_page_first              2222
_journal_page_last               2230
_journal_paper_doi               10.1039/d4sc06782g
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety
'C73.875 H78 Fe1.969 Ga2 I0.063 N4 O7.875, 1.5(C6 H6)'
_chemical_formula_sum            'C82.88 H87 Fe1.97 Ga2 I0.06 N4 O7.88'
_chemical_formula_weight         1522.77
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-12-15
_audit_creation_method
;
Olex2 1.5-ac6-012
(compiled 2023.08.24 svn.re1ec1418 for Rigaku Oxford Diffraction, GUI svn.r6817)
;
_audit_update_record
;
2024-02-23 deposited with the CCDC.	2024-11-14 downloaded from the CCDC.
;
_cell_angle_alpha                98.115(2)
_cell_angle_beta                 96.616(2)
_cell_angle_gamma                102.807(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8571(2)
_cell_length_b                   14.3020(3)
_cell_length_c                   25.6182(5)
_cell_measurement_reflns_used    19734
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      76.2220
_cell_measurement_theta_min      3.3590
_cell_volume                     3795.66(14)
_computing_cell_refinement       'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_data_collection
'CrysAlisPro system (CCD 42.94a 64-bit (release 21-06-2023))'
_computing_data_reduction        'CrysAlisPro 1.171.43.95a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5-ac6-012 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac6-012 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3114
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -92.00  44.00   1.00   10.00    --  -38.50   0.00-150.00  136
  2  ω    -48.00  -8.00   1.00   10.00    --  -38.50 125.00-180.00   40
  3  ω    -52.00  12.00   1.00   10.00    --  -38.50  38.00  90.00   64
  4  ω     31.00  90.00   1.00   10.00    --   42.70-125.00   0.00   59
  5  ω     30.00  89.00   1.00   10.00    --   42.70-125.00-180.00   59
  6  ω    135.00 177.00   1.00   30.00    --  111.00  15.00 -60.00   42
  7  ω     83.00 110.00   1.00   30.00    --  111.00  15.00 -60.00   27
  8  ω     47.00 109.00   1.00   30.00    --  111.00-108.00-172.93   62
  9  ω    122.00 178.00   1.00   30.00    --  111.00  71.00 -54.36   56
 10  ω     83.00 115.00   1.00   30.00    --  111.00  71.00 -54.36   32
 11  ω     45.00  72.00   1.00   30.00    --  111.00-106.00  87.00   27
 12  ω     86.00 113.00   1.00   30.00    --  111.00-125.00 -90.00   27
 13  ω     45.00 120.00   1.00   30.00    --  111.00 -30.00   0.00   75
 14  ω     58.00 105.00   1.00   30.00    --  111.00 -77.00-180.00   47
 15  ω     89.00 173.00   1.00   30.00    --  111.00  45.00   0.00   84
 16  ω     60.00 101.00   1.00   30.00    --  111.00 -94.00 -30.00   41
 17  ω     45.00  88.00   1.00   30.00    --  111.00-125.00-180.00   43
 18  ω    112.00 139.00   1.00   30.00    --  111.00 -77.00-180.00   27
 19  ω     45.00 124.00   1.00   30.00    --  111.00 -45.00 150.00   79
 20  ω     95.00 176.00   1.00   30.00    --  111.00  45.00  30.00   81
 21  ω    118.00 177.00   1.00   30.00    --  111.00  77.00  60.00   59
 22  ω     43.00 132.00   1.00   30.00    --  111.00 -61.00 -60.00   89
 23  ω     60.00 108.00   1.00   30.00    --  111.00-103.00 -66.88   48
 24  ω     80.00 107.00   1.00   30.00    --  111.00 -94.00   0.00   27
 25  ω     54.00 107.00   1.00   30.00    --  111.00 -94.00  30.00   53
 26  ω     53.00 108.00   1.00   30.00    --  111.00-103.00 118.64   55
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1105995000
_diffrn_orient_matrix_UB_12      0.0000141000
_diffrn_orient_matrix_UB_13      -0.0434543000
_diffrn_orient_matrix_UB_21      -0.0542059000
_diffrn_orient_matrix_UB_22      0.0636400000
_diffrn_orient_matrix_UB_23      0.0407088000
_diffrn_orient_matrix_UB_31      0.0806409000
_diffrn_orient_matrix_UB_32      0.0923302000
_diffrn_orient_matrix_UB_33      -0.0152079000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_unetI/netI     0.0346
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            34577
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.423
_diffrn_reflns_theta_min         3.392
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    4.430
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.398
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.95a (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            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.866
_refine_diff_density_min         -0.728
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     927
_refine_ls_number_reflns         15591
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0373
_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)+(0.0656P)²+1.1645P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0994
_refine_ls_wR_factor_ref         0.1027
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14480
_reflns_number_total             15591
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc06782g2.cif
_cod_data_source_block           9
_cod_depositor_comments
'Adding full bibliography for 1573160--1573166.cif.'
_cod_original_cell_volume        3795.66(13)
_cod_database_code               1573162
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C83H88Fe2Ga2N4O8
_chemical_oxdiff_usercomment     'Mounted by Arne'
_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   0.666
_shelx_estimated_absorpt_t_min   0.298
_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. Others
 Sof(I1)=Sof(I2)=1-FVAR(1)
 Sof(Fe2)=Sof(O5)=Sof(O6)=Sof(O7)=Sof(O8)=Sof(C71)=Sof(C72)=Sof(C73)=Sof(C74)=
 FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C19(H19), C22(H22), C31(H31), C34(H34), C49(H49), C52(H52), C61(H61), C64(H64)
3.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C15(H15), C16(H16), C17(H17),
 C27(H27), C28(H28), C29(H29), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42),
  C45(H45), C46(H46), C47(H47), C57(H57), C58(H58), C59(H59), C75(H75),
 C76(H76), C77(H77), C78(H78), C79(H79), C80(H80), C81(H81), C82(H82), C83(H83)
3.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C53(H53A,H53B,H53C),
 C54(H54A,H54B,H54C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C65(H65A,H65B,
 H65C), C66(H66A,H66B,H66C)
;
_olex2_date_sample_data_collection 2023-07-16
_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 1.894
_oxdiff_exptl_absorpt_empirical_full_min 0.758
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
I1 I 0.5984(5) 0.6785(3) 0.3356(2) 0.0346(14) Uani 0.0314(6) 1 d . . P A 2
I2 I 0.9222(6) 0.6443(5) 0.41002(19) 0.0424(17) Uani 0.0314(6) 1 d . . P A 2
Ga1 Ga 0.60403(2) 0.45539(2) 0.19705(2) 0.01611(6) Uani 1 1 d . . . . .
Ga2 Ga 0.78423(2) 0.57350(2) 0.33179(2) 0.01629(6) Uani 1 1 d . . . . .
Fe1 Fe 0.40904(3) 0.38453(2) 0.14279(2) 0.01927(7) Uani 1 1 d . . . . .
Fe2 Fe 0.81882(3) 0.69196(2) 0.40735(2) 0.02001(8) Uani 0.9686(6) 1 d . . P A 1
O1 O 0.33932(15) 0.36418(12) 0.24856(6) 0.0298(3) Uani 1 1 d . . . . .
O2 O 0.35830(19) 0.55027(13) 0.09609(7) 0.0426(4) Uani 1 1 d . . . . .
O3 O 0.54097(17) 0.25761(12) 0.08278(6) 0.0340(3) Uani 1 1 d . . . . .
O4 O 0.16063(19) 0.26971(17) 0.08639(8) 0.0560(6) Uani 1 1 d . . . . .
O5 O 0.70295(16) 0.57356(12) 0.48149(6) 0.0313(3) Uani 0.9686(6) 1 d . . P A 1
O6 O 0.6714(2) 0.77279(13) 0.33002(7) 0.0431(4) Uani 0.9686(6) 1 d . . P A 1
O7 O 1.09352(16) 0.70743(14) 0.40975(6) 0.0340(4) Uani 0.9686(6) 1 d . . P A 1
O8 O 0.8545(2) 0.86182(14) 0.49121(8) 0.0468(5) Uani 0.9686(6) 1 d . . P A 1
N1 N 0.64255(14) 0.28562(11) 0.25531(6) 0.0154(3) Uani 1 1 d . . . . .
N2 N 0.68677(14) 0.35662(11) 0.33796(6) 0.0155(3) Uani 1 1 d . . . . .
N3 N 0.77704(14) 0.64670(11) 0.18001(6) 0.0162(3) Uani 1 1 d . . . . .
N4 N 0.91893(14) 0.68959(11) 0.25154(6) 0.0157(3) Uani 1 1 d . . . . .
C1 C 0.65753(16) 0.27006(13) 0.30592(7) 0.0160(3) Uani 1 1 d . . . . .
C2 C 0.66705(16) 0.38678(12) 0.25469(7) 0.0156(3) Uani 1 1 d . . . . .
C3 C 0.69813(16) 0.43182(13) 0.30751(7) 0.0158(3) Uani 1 1 d . . . . .
C4 C 0.73484(17) 0.58343(13) 0.21525(7) 0.0162(3) Uani 1 1 d . . . . .
C5 C 0.82328(17) 0.61119(13) 0.26101(7) 0.0163(3) Uani 1 1 d . . . . .
C6 C 0.88950(17) 0.70762(13) 0.20211(7) 0.0171(3) Uani 1 1 d . . . . .
C7 C 0.65154(18) 0.17509(13) 0.32337(7) 0.0184(3) Uani 1 1 d . . . . .
C8 C 0.71883(19) 0.11215(14) 0.30011(8) 0.0220(4) Uani 1 1 d . . . . .
H8 H 0.767700 0.129822 0.273010 0.026 Uiso 1 1 calc R U . . .
C9 C 0.7139(2) 0.02308(15) 0.31691(9) 0.0269(4) Uani 1 1 d . . . . .
H9 H 0.759342 -0.020224 0.301035 0.032 Uiso 1 1 calc R U . . .
C10 C 0.6431(2) -0.00287(15) 0.35674(9) 0.0305(4) Uani 1 1 d . . . . .
H10 H 0.640474 -0.063623 0.368080 0.037 Uiso 1 1 calc R U . . .
C11 C 0.5764(2) 0.05955(15) 0.37985(8) 0.0295(4) Uani 1 1 d . . . . .
H11 H 0.528020 0.041712 0.407069 0.035 Uiso 1 1 calc R U . . .
C12 C 0.5801(2) 0.14824(14) 0.36333(8) 0.0236(4) Uani 1 1 d . . . . .
H12 H 0.533899 0.190955 0.379204 0.028 Uiso 1 1 calc R U . . .
C13 C 0.62215(17) 0.20962(13) 0.20900(7) 0.0171(3) Uani 1 1 d . . . . .
C14 C 0.50534(18) 0.13945(13) 0.19547(7) 0.0203(3) Uani 1 1 d . . . . .
C15 C 0.4933(2) 0.06812(14) 0.15090(8) 0.0255(4) Uani 1 1 d . . . . .
H15 H 0.414748 0.020494 0.140099 0.031 Uiso 1 1 calc R U . . .
C16 C 0.5924(2) 0.06479(15) 0.12199(8) 0.0278(4) Uani 1 1 d . . . . .
H16 H 0.581298 0.015619 0.091569 0.033 Uiso 1 1 calc R U . . .
C17 C 0.7077(2) 0.13279(15) 0.13724(8) 0.0249(4) Uani 1 1 d . . . . .
H17 H 0.775915 0.128971 0.117557 0.030 Uiso 1 1 calc R U . . .
C18 C 0.72565(18) 0.20683(13) 0.18093(7) 0.0197(3) Uani 1 1 d . . . . .
C19 C 0.39592(18) 0.13293(14) 0.22790(8) 0.0226(4) Uani 1 1 d . . . . .
H19 H 0.418297 0.189933 0.257692 0.027 Uiso 1 1 calc R U . . .
C20 C 0.2692(2) 0.13347(16) 0.19451(10) 0.0303(4) Uani 1 1 d . . . . .
H20A H 0.280821 0.191467 0.177563 0.045 Uiso 1 1 calc R U . . .
H20B H 0.203600 0.134306 0.217708 0.045 Uiso 1 1 calc R U . . .
H20C H 0.242460 0.074986 0.166969 0.045 Uiso 1 1 calc R U . . .
C21 C 0.3773(2) 0.03851(15) 0.25207(9) 0.0272(4) Uani 1 1 d . . . . .
H21A H 0.338419 -0.017614 0.223867 0.041 Uiso 1 1 calc R U . . .
H21B H 0.321239 0.041569 0.279322 0.041 Uiso 1 1 calc R U . . .
H21C H 0.460369 0.031755 0.268353 0.041 Uiso 1 1 calc R U . . .
C22 C 0.85433(18) 0.27984(14) 0.19592(8) 0.0230(4) Uani 1 1 d . . . . .
H22 H 0.856344 0.319095 0.231691 0.028 Uiso 1 1 calc R U . . .
C23 C 0.9656(2) 0.22990(17) 0.19947(10) 0.0334(5) Uani 1 1 d . . . . .
H23A H 0.951382 0.182302 0.223519 0.050 Uiso 1 1 calc R U . . .
H23B H 1.045654 0.278840 0.213255 0.050 Uiso 1 1 calc R U . . .
H23C H 0.970717 0.196647 0.163914 0.050 Uiso 1 1 calc R U . . .
C24 C 0.8698(2) 0.34916(15) 0.15527(9) 0.0279(4) Uani 1 1 d . . . . .
H24A H 0.865948 0.311759 0.119737 0.042 Uiso 1 1 calc R U . . .
H24B H 0.952510 0.396657 0.165298 0.042 Uiso 1 1 calc R U . . .
H24C H 0.800947 0.383357 0.154820 0.042 Uiso 1 1 calc R U . . .
C25 C 0.68776(18) 0.36509(13) 0.39515(7) 0.0179(3) Uani 1 1 d . . . . .
C26 C 0.57170(19) 0.36930(14) 0.41385(8) 0.0218(4) Uani 1 1 d . . . . .
C27 C 0.5679(2) 0.36484(15) 0.46772(8) 0.0264(4) Uani 1 1 d . . . . .
H27 H 0.491662 0.367642 0.482029 0.032 Uiso 1 1 calc R U . . .
C28 C 0.6739(2) 0.35639(15) 0.50053(8) 0.0278(4) Uani 1 1 d . . . . .
H28 H 0.669308 0.353132 0.537063 0.033 Uiso 1 1 calc R U . . .
C29 C 0.7867(2) 0.35261(15) 0.48084(8) 0.0248(4) Uani 1 1 d . . . . .
H29 H 0.858758 0.347712 0.504166 0.030 Uiso 1 1 calc R U . . .
C30 C 0.79582(18) 0.35592(13) 0.42696(7) 0.0196(3) Uani 1 1 d . . . . .
C31 C 0.45398(19) 0.37666(17) 0.37738(8) 0.0272(4) Uani 1 1 d . . . . .
H31 H 0.469157 0.361461 0.339689 0.033 Uiso 1 1 calc R U . . .
C32 C 0.4348(2) 0.47939(19) 0.38645(11) 0.0402(5) Uani 1 1 d . . . . .
H32A H 0.418194 0.495849 0.423005 0.060 Uiso 1 1 calc R U . . .
H32B H 0.361906 0.483351 0.361200 0.060 Uiso 1 1 calc R U . . .
H32C H 0.511946 0.525249 0.381003 0.060 Uiso 1 1 calc R U . . .
C33 C 0.3323(2) 0.3045(2) 0.38382(12) 0.0420(6) Uani 1 1 d . . . . .
H33A H 0.346133 0.238634 0.379420 0.063 Uiso 1 1 calc R U . . .
H33B H 0.262086 0.307039 0.356753 0.063 Uiso 1 1 calc R U . . .
H33C H 0.310513 0.321634 0.419439 0.063 Uiso 1 1 calc R U . . .
C34 C 0.91859(18) 0.34685(15) 0.40602(8) 0.0240(4) Uani 1 1 d . . . . .
H34 H 0.904457 0.344603 0.366547 0.029 Uiso 1 1 calc R U . . .
C35 C 0.9553(2) 0.25326(17) 0.41670(10) 0.0336(5) Uani 1 1 d . . . . .
H35A H 1.029061 0.245874 0.399219 0.050 Uiso 1 1 calc R U . . .
H35B H 0.883049 0.197364 0.402501 0.050 Uiso 1 1 calc R U . . .
H35C H 0.977194 0.256568 0.455220 0.050 Uiso 1 1 calc R U . . .
C36 C 1.0272(2) 0.43585(17) 0.43071(9) 0.0311(4) Uani 1 1 d . . . . .
H36A H 1.045189 0.437809 0.469273 0.047 Uiso 1 1 calc R U . . .
H36B H 1.001797 0.495169 0.423890 0.047 Uiso 1 1 calc R U . . .
H36C H 1.103962 0.431521 0.414758 0.047 Uiso 1 1 calc R U . . .
C37 C 0.96987(19) 0.77536(14) 0.17401(7) 0.0207(4) Uani 1 1 d . . . . .
C38 C 0.9200(2) 0.84230(15) 0.14887(8) 0.0264(4) Uani 1 1 d . . . . .
H38 H 0.835577 0.848181 0.151849 0.032 Uiso 1 1 calc R U . . .
C39 C 0.9947(2) 0.90037(16) 0.11943(9) 0.0318(5) Uani 1 1 d . . . . .
H39 H 0.961078 0.946166 0.102414 0.038 Uiso 1 1 calc R U . . .
C40 C 1.1173(2) 0.89193(17) 0.11476(9) 0.0333(5) Uani 1 1 d . . . . .
H40 H 1.167154 0.930903 0.094002 0.040 Uiso 1 1 calc R U . . .
C41 C 1.1676(2) 0.82663(17) 0.14035(9) 0.0312(5) Uani 1 1 d . . . . .
H41 H 1.252454 0.821508 0.137487 0.037 Uiso 1 1 calc R U . . .
C42 C 1.09478(19) 0.76874(15) 0.17010(8) 0.0249(4) Uani 1 1 d . . . . .
H42 H 1.129975 0.724468 0.187863 0.030 Uiso 1 1 calc R U . . .
C43 C 0.70359(18) 0.65761(13) 0.13119(7) 0.0206(4) Uani 1 1 d . . . . .
C44 C 0.61658(19) 0.71658(15) 0.13677(8) 0.0249(4) Uani 1 1 d . . . . .
C45 C 0.5502(2) 0.73171(18) 0.09020(9) 0.0338(5) Uani 1 1 d . . . . .
H45 H 0.490524 0.771134 0.092377 0.041 Uiso 1 1 calc R U . . .
C46 C 0.5701(2) 0.6899(2) 0.04058(9) 0.0400(6) Uani 1 1 d . . . . .
H46 H 0.523532 0.700782 0.009192 0.048 Uiso 1 1 calc R U . . .
C47 C 0.6564(2) 0.63300(19) 0.03634(9) 0.0353(5) Uani 1 1 d . . . . .
H47 H 0.667891 0.604599 0.001982 0.042 Uiso 1 1 calc R U . . .
C48 C 0.7276(2) 0.61601(15) 0.08162(8) 0.0252(4) Uani 1 1 d . . . . .
C49 C 0.5950(2) 0.76405(15) 0.19098(9) 0.0266(4) Uani 1 1 d . . . . .
H49 H 0.670174 0.764974 0.217750 0.032 Uiso 1 1 calc R U . . .
C50 C 0.5843(3) 0.86867(18) 0.19189(12) 0.0420(6) Uani 1 1 d . . . . .
H50A H 0.662643 0.907356 0.182673 0.063 Uiso 1 1 calc R U . . .
H50B H 0.572157 0.896212 0.227644 0.063 Uiso 1 1 calc R U . . .
H50C H 0.511077 0.869737 0.165926 0.063 Uiso 1 1 calc R U . . .
C51 C 0.4752(2) 0.70523(17) 0.20829(10) 0.0331(5) Uani 1 1 d . . . . .
H51A H 0.399816 0.704496 0.183083 0.050 Uiso 1 1 calc R U . . .
H51B H 0.466390 0.735206 0.244062 0.050 Uiso 1 1 calc R U . . .
H51C H 0.482955 0.638364 0.208807 0.050 Uiso 1 1 calc R U . . .
C52 C 0.8279(2) 0.55836(15) 0.07555(8) 0.0276(4) Uani 1 1 d . . . . .
H52 H 0.868582 0.554329 0.111963 0.033 Uiso 1 1 calc R U . . .
C53 C 0.7690(3) 0.45465(17) 0.04548(9) 0.0363(5) Uani 1 1 d . . . . .
H53A H 0.703273 0.421870 0.064414 0.054 Uiso 1 1 calc R U . . .
H53B H 0.835766 0.418596 0.043439 0.054 Uiso 1 1 calc R U . . .
H53C H 0.730364 0.457137 0.009356 0.054 Uiso 1 1 calc R U . . .
C54 C 0.9325(2) 0.61012(18) 0.04638(10) 0.0361(5) Uani 1 1 d . . . . .
H54A H 0.896226 0.608725 0.009355 0.054 Uiso 1 1 calc R U . . .
H54B H 1.002212 0.576733 0.046897 0.054 Uiso 1 1 calc R U . . .
H54C H 0.965633 0.677830 0.064341 0.054 Uiso 1 1 calc R U . . .
C55 C 1.04455(17) 0.72990(14) 0.28339(7) 0.0183(3) Uani 1 1 d . . . . .
C56 C 1.12836(18) 0.66767(14) 0.28462(8) 0.0212(4) Uani 1 1 d . . . . .
C57 C 1.25293(19) 0.70708(16) 0.31147(8) 0.0261(4) Uani 1 1 d . . . . .
H57 H 1.311157 0.666536 0.313651 0.031 Uiso 1 1 calc R U . . .
C58 C 1.29251(19) 0.80393(17) 0.33483(9) 0.0286(4) Uani 1 1 d . . . . .
H58 H 1.378126 0.829913 0.352022 0.034 Uiso 1 1 calc R U . . .
C59 C 1.2078(2) 0.86333(15) 0.33327(8) 0.0259(4) Uani 1 1 d . . . . .
H59 H 1.236276 0.929741 0.349759 0.031 Uiso 1 1 calc R U . . .
C60 C 1.08126(18) 0.82786(14) 0.30798(7) 0.0205(4) Uani 1 1 d . . . . .
C61 C 1.09114(19) 0.56139(15) 0.25835(8) 0.0246(4) Uani 1 1 d . . . . .
H61 H 1.005836 0.548912 0.235700 0.030 Uiso 1 1 calc R U . . .
C62 C 1.0779(2) 0.49597(16) 0.30083(10) 0.0327(5) Uani 1 1 d . . . . .
H62A H 1.158307 0.511183 0.325574 0.049 Uiso 1 1 calc R U . . .
H62B H 1.058072 0.427613 0.283573 0.049 Uiso 1 1 calc R U . . .
H62C H 1.008881 0.507250 0.320541 0.049 Uiso 1 1 calc R U . . .
C63 C 1.1865(2) 0.53607(17) 0.22221(11) 0.0360(5) Uani 1 1 d . . . . .
H63A H 1.192569 0.577786 0.194910 0.054 Uiso 1 1 calc R U . . .
H63B H 1.157142 0.467709 0.204945 0.054 Uiso 1 1 calc R U . . .
H63C H 1.270653 0.546540 0.243683 0.054 Uiso 1 1 calc R U . . .
C64 C 0.99318(19) 0.89714(14) 0.30972(8) 0.0224(4) Uani 1 1 d . . . . .
H64 H 0.904624 0.859516 0.293678 0.027 Uiso 1 1 calc R U . . .
C65 C 0.9914(2) 0.94241(15) 0.36765(9) 0.0297(4) Uani 1 1 d . . . . .
H65A H 0.964715 0.890547 0.388177 0.045 Uiso 1 1 calc R U . . .
H65B H 0.931192 0.984324 0.368182 0.045 Uiso 1 1 calc R U . . .
H65C H 1.077165 0.981207 0.383537 0.045 Uiso 1 1 calc R U . . .
C66 C 1.0347(2) 0.97965(15) 0.27808(9) 0.0291(4) Uani 1 1 d . . . . .
H66A H 1.115634 1.023024 0.296522 0.044 Uiso 1 1 calc R U . . .
H66B H 0.968967 1.016658 0.275340 0.044 Uiso 1 1 calc R U . . .
H66C H 1.045846 0.951781 0.242238 0.044 Uiso 1 1 calc R U . . .
C67 C 0.36994(18) 0.37357(15) 0.20744(8) 0.0233(4) Uani 1 1 d . . . . .
C68 C 0.3882(2) 0.48934(16) 0.11571(8) 0.0287(4) Uani 1 1 d . . . . .
C69 C 0.4934(2) 0.30872(15) 0.10811(8) 0.0254(4) Uani 1 1 d . . . . .
C70 C 0.2583(2) 0.31522(18) 0.10865(9) 0.0331(5) Uani 1 1 d . . . . .
C71 C 0.7466(2) 0.61359(15) 0.44981(8) 0.0235(4) Uani 0.9686(6) 1 d . . P A 1
C72 C 0.7286(2) 0.73910(15) 0.36013(9) 0.0286(4) Uani 0.9686(6) 1 d . . P A 1
C73 C 0.9855(2) 0.70031(17) 0.40695(8) 0.0255(4) Uani 0.9686(6) 1 d . . P A 1
C74 C 0.8406(2) 0.79514(17) 0.45832(9) 0.0315(5) Uani 0.9686(6) 1 d . . P A 1
C75 C -0.3450(2) 0.09710(18) -0.01717(9) 0.0323(5) Uani 1 1 d . . . . .
H75 H -0.428597 0.100963 -0.030692 0.039 Uiso 1 1 calc R U . . .
C76 C -0.3198(2) 0.00701(17) -0.01400(9) 0.0317(5) Uani 1 1 d . . . . .
H76 H -0.385668 -0.050684 -0.025853 0.038 Uiso 1 1 calc R U . . .
C77 C -0.1980(2) 0.00116(18) 0.00654(9) 0.0338(5) Uani 1 1 d . . . . .
H77 H -0.180495 -0.060334 0.009206 0.041 Uiso 1 1 calc R U . . .
C78 C -0.1021(2) 0.08619(19) 0.02315(9) 0.0336(5) Uani 1 1 d . . . . .
H78 H -0.018749 0.082633 0.037274 0.040 Uiso 1 1 calc R U . . .
C79 C -0.1270(2) 0.17571(18) 0.01927(9) 0.0325(5) Uani 1 1 d . . . . .
H79 H -0.060794 0.233412 0.030311 0.039 Uiso 1 1 calc R U . . .
C80 C -0.2492(2) 0.18129(17) -0.00079(9) 0.0330(5) Uani 1 1 d . . . . .
H80 H -0.266793 0.242824 -0.003247 0.040 Uiso 1 1 calc R U . . .
C81 C 0.5934(3) 1.0839(2) 0.52222(10) 0.0438(6) Uani 1 1 d . . . . .
H81 H 0.657374 1.141318 0.537370 0.053 Uiso 1 1 calc R U . . .
C82 C 0.6266(3) 0.9958(2) 0.51006(11) 0.0447(6) Uani 1 1 d . . . . .
H82 H 0.713351 0.992813 0.517002 0.054 Uiso 1 1 calc R U . . .
C83 C 0.5330(3) 0.9123(2) 0.48782(10) 0.0444(6) Uani 1 1 d . . . . .
H83 H 0.555912 0.852158 0.479423 0.053 Uiso 1 1 calc R U . . .
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'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 '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'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
5 -7 -5 0.1312
1 -9 2 0.1170
-3 -7 7 0.1262
-2 9 0 0.0871
0 9 -4 0.1019
3 0 14 0.0361
1 -3 16 0.0530
-3 -2 -11 0.0482
-5 -3 9 0.1444
-5 8 3 0.0998
3 -6 -11 0.1127
2 7 -10 0.1145
-4 2 -12 0.0672
-3 4 -13 0.0793
1 2 -17 0.1012
1 4 12 0.0545
2 -8 9 0.0945
6 -6 7 0.1129
1 8 -9 0.1032
-2 -1 -14 0.0607
2 -5 14 0.0500
3 -4 13 0.0541
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
C2 Ga1 Fe1 119.63(5) . . ?
C4 Ga1 Fe1 139.66(5) . . ?
C4 Ga1 C2 99.93(7) . . ?
I2 Ga2 I1 102.05(18) . . ?
C3 Ga2 I1 108.72(12) . . ?
C3 Ga2 I2 127.55(16) . . ?
C3 Ga2 Fe2 139.24(5) . . ?
C3 Ga2 C5 99.82(7) . . ?
C5 Ga2 I1 91.76(11) . . ?
C5 Ga2 I2 120.86(18) . . ?
C5 Ga2 Fe2 120.27(5) . . ?
C67 Fe1 Ga1 77.83(6) . . ?
C67 Fe1 C68 118.47(10) . . ?
C67 Fe1 C69 123.56(9) . . ?
C68 Fe1 Ga1 97.83(7) . . ?
C69 Fe1 Ga1 85.58(7) . . ?
C69 Fe1 C68 117.04(10) . . ?
C70 Fe1 Ga1 170.14(7) . . ?
C70 Fe1 C67 94.87(10) . . ?
C70 Fe1 C68 91.46(10) . . ?
C70 Fe1 C69 93.15(11) . . ?
C71 Fe2 Ga2 96.55(6) . . ?
C72 Fe2 Ga2 77.62(7) . . ?
C72 Fe2 C71 122.74(11) . . ?
C72 Fe2 C73 121.47(10) . . ?
C72 Fe2 C74 94.08(10) . . ?
C73 Fe2 Ga2 86.40(7) . . ?
C73 Fe2 C71 114.75(10) . . ?
C74 Fe2 Ga2 171.09(8) . . ?
C74 Fe2 C71 90.65(10) . . ?
C74 Fe2 C73 95.37(11) . . ?
C1 N1 C2 109.78(14) . . ?
C1 N1 C13 123.87(15) . . ?
C2 N1 C13 125.82(14) . . ?
C1 N2 C3 110.20(14) . . ?
C1 N2 C25 121.71(15) . . ?
C3 N2 C25 127.59(15) . . ?
C4 N3 C43 126.34(15) . . ?
C6 N3 C4 109.77(15) . . ?
C6 N3 C43 123.15(14) . . ?
C5 N4 C55 126.33(15) . . ?
C6 N4 C5 109.49(15) . . ?
C6 N4 C55 122.62(15) . . ?
N1 C1 C7 126.46(16) . . ?
N2 C1 N1 107.75(15) . . ?
N2 C1 C7 125.67(16) . . ?
N1 C2 Ga1 128.26(13) . . ?
C3 C2 Ga1 121.53(13) . . ?
C3 C2 N1 105.97(14) . . ?
N2 C3 Ga2 127.84(13) . . ?
C2 C3 Ga2 124.26(13) . . ?
C2 C3 N2 106.19(15) . . ?
N3 C4 Ga1 127.21(13) . . ?
C5 C4 Ga1 124.07(13) . . ?
C5 C4 N3 106.57(15) . . ?
N4 C5 Ga2 128.47(13) . . ?
C4 C5 Ga2 122.54(13) . . ?
C4 C5 N4 106.13(15) . . ?
N3 C6 N4 107.96(15) . . ?
N3 C6 C37 124.63(16) . . ?
N4 C6 C37 127.19(17) . . ?
C8 C7 C1 119.55(16) . . ?
C8 C7 C12 119.68(17) . . ?
C12 C7 C1 120.76(17) . . ?
C7 C8 H8 120.3 . . ?
C7 C8 C9 119.48(18) . . ?
C9 C8 H8 120.3 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.45(19) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.09(19) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.02(19) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 119.9 . . ?
C11 C12 C7 120.27(19) . . ?
C11 C12 H12 119.9 . . ?
C14 C13 N1 120.18(16) . . ?
C14 C13 C18 122.49(17) . . ?
C18 C13 N1 117.24(16) . . ?
C13 C14 C19 124.49(17) . . ?
C15 C14 C13 116.94(17) . . ?
C15 C14 C19 118.46(17) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 C14 121.75(19) . . ?
C16 C15 H15 119.1 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.08(19) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 119.4 . . ?
C16 C17 C18 121.15(18) . . ?
C18 C17 H17 119.4 . . ?
C13 C18 C22 123.48(17) . . ?
C17 C18 C13 117.53(18) . . ?
C17 C18 C22 118.99(17) . . ?
C14 C19 H19 108.6 . . ?
C14 C19 C20 112.64(17) . . ?
C14 C19 C21 109.68(16) . . ?
C20 C19 H19 108.6 . . ?
C20 C19 C21 108.62(16) . . ?
C21 C19 H19 108.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22 108.3 . . ?
C18 C22 C23 112.07(17) . . ?
C18 C22 C24 109.68(17) . . ?
C23 C22 H22 108.3 . . ?
C23 C22 C24 110.21(16) . . ?
C24 C22 H22 108.3 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 N2 116.75(16) . . ?
C30 C25 N2 118.82(16) . . ?
C30 C25 C26 123.87(17) . . ?
C25 C26 C31 122.37(17) . . ?
C27 C26 C25 116.80(18) . . ?
C27 C26 C31 120.83(17) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.82(19) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 H28 119.6 . . ?
C27 C28 C29 120.89(18) . . ?
C29 C28 H28 119.6 . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 120.86(19) . . ?
C30 C29 H29 119.6 . . ?
C25 C30 C29 116.75(17) . . ?
C25 C30 C34 123.60(16) . . ?
C29 C30 C34 119.63(17) . . ?
C26 C31 H31 107.7 . . ?
C26 C31 C33 112.93(19) . . ?
C32 C31 C26 110.90(18) . . ?
C32 C31 H31 107.7 . . ?
C32 C31 C33 109.67(19) . . ?
C33 C31 H31 107.7 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 H34 108.1 . . ?
C30 C34 C35 111.50(17) . . ?
C30 C34 C36 110.35(17) . . ?
C35 C34 H34 108.1 . . ?
C35 C34 C36 110.48(17) . . ?
C36 C34 H34 108.1 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C38 C37 C6 120.77(18) . . ?
C42 C37 C6 119.58(17) . . ?
C42 C37 C38 119.55(18) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 C37 119.7(2) . . ?
C39 C38 H38 120.2 . . ?
C38 C39 H39 119.8 . . ?
C40 C39 C38 120.5(2) . . ?
C40 C39 H39 119.8 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 119.96(19) . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 119.9 . . ?
C40 C41 C42 120.2(2) . . ?
C42 C41 H41 119.9 . . ?
C37 C42 H42 120.0 . . ?
C41 C42 C37 120.1(2) . . ?
C41 C42 H42 120.0 . . ?
C44 C43 N3 116.53(16) . . ?
C48 C43 N3 120.02(17) . . ?
C48 C43 C44 123.30(18) . . ?
C43 C44 C49 122.60(17) . . ?
C45 C44 C43 117.2(2) . . ?
C45 C44 C49 120.2(2) . . ?
C44 C45 H45 119.6 . . ?
C46 C45 C44 120.8(2) . . ?
C46 C45 H45 119.6 . . ?
C45 C46 H46 119.6 . . ?
C47 C46 C45 120.7(2) . . ?
C47 C46 H46 119.6 . . ?
C46 C47 H47 119.3 . . ?
C46 C47 C48 121.3(2) . . ?
C48 C47 H47 119.3 . . ?
C43 C48 C52 123.32(18) . . ?
C47 C48 C43 116.6(2) . . ?
C47 C48 C52 120.03(19) . . ?
C44 C49 H49 107.9 . . ?
C44 C49 C51 111.17(18) . . ?
C50 C49 C44 112.65(19) . . ?
C50 C49 H49 107.9 . . ?
C50 C49 C51 109.22(19) . . ?
C51 C49 H49 107.9 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C48 C52 H52 108.3 . . ?
C48 C52 C53 111.51(19) . . ?
C48 C52 C54 110.45(18) . . ?
C53 C52 H52 108.3 . . ?
C53 C52 C54 109.84(18) . . ?
C54 C52 H52 108.3 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 N4 116.54(16) . . ?
C60 C55 N4 120.70(16) . . ?
C60 C55 C56 122.60(17) . . ?
C55 C56 C61 123.69(17) . . ?
C57 C56 C55 117.54(18) . . ?
C57 C56 C61 118.77(18) . . ?
C56 C57 H57 119.5 . . ?
C58 C57 C56 121.02(19) . . ?
C58 C57 H57 119.5 . . ?
C57 C58 H58 119.9 . . ?
C57 C58 C59 120.19(19) . . ?
C59 C58 H58 119.9 . . ?
C58 C59 H59 119.2 . . ?
C58 C59 C60 121.54(19) . . ?
C60 C59 H59 119.2 . . ?
C55 C60 C64 124.73(17) . . ?
C59 C60 C55 117.07(18) . . ?
C59 C60 C64 118.19(18) . . ?
C56 C61 H61 108.0 . . ?
C56 C61 C62 110.13(17) . . ?
C56 C61 C63 112.10(17) . . ?
C62 C61 H61 108.0 . . ?
C62 C61 C63 110.60(18) . . ?
C63 C61 H61 108.0 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C60 C64 H64 108.6 . . ?
C60 C64 C65 110.51(16) . . ?
C60 C64 C66 111.73(16) . . ?
C65 C64 H64 108.6 . . ?
C65 C64 C66 108.71(16) . . ?
C66 C64 H64 108.6 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
C64 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O1 C67 Fe1 177.09(18) . . ?
O2 C68 Fe1 171.0(2) . . ?
O3 C69 Fe1 175.20(19) . . ?
O4 C70 Fe1 179.6(3) . . ?
O5 C71 Fe2 171.65(18) . . ?
O6 C72 Fe2 177.9(2) . . ?
O7 C73 Fe2 176.14(19) . . ?
O8 C74 Fe2 179.8(3) . . ?
C76 C75 H75 119.8 . . ?
C80 C75 H75 119.8 . . ?
C80 C75 C76 120.4(2) . . ?
C75 C76 H76 120.0 . . ?
C75 C76 C77 120.0(2) . . ?
C77 C76 H76 120.0 . . ?
C76 C77 H77 120.3 . . ?
C76 C77 C78 119.4(2) . . ?
C78 C77 H77 120.3 . . ?
C77 C78 H78 119.7 . . ?
C79 C78 C77 120.5(2) . . ?
C79 C78 H78 119.7 . . ?
C78 C79 H79 120.0 . . ?
C78 C79 C80 119.9(2) . . ?
C80 C79 H79 120.0 . . ?
C75 C80 C79 119.8(2) . . ?
C75 C80 H80 120.1 . . ?
C79 C80 H80 120.1 . . ?
C82 C81 H81 120.1 . . ?
C83 C81 H81 120.1 2_676 . ?
C83 C81 C82 119.7(3) 2_676 . ?
C81 C82 H82 120.0 . . ?
C83 C82 C81 120.0(3) . . ?
C83 C82 H82 120.0 . . ?
C81 C83 C82 120.3(3) 2_676 . ?
C81 C83 H83 119.9 2_676 . ?
C82 C83 H83 119.9 . . ?
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
I1 Ga2 2.772(4) . ?
I2 Ga2 2.313(5) . ?
Ga1 Fe1 2.3267(4) . ?
Ga1 C2 2.0212(17) . ?
Ga1 C4 2.0103(18) . ?
Ga2 Fe2 2.3200(4) . ?
Ga2 C3 2.0092(18) . ?
Ga2 C5 2.0275(17) . ?
Fe1 C67 1.776(2) . ?
Fe1 C68 1.785(2) . ?
Fe1 C69 1.778(2) . ?
Fe1 C70 1.770(2) . ?
Fe2 C71 1.790(2) . ?
Fe2 C72 1.768(2) . ?
Fe2 C73 1.788(2) . ?
Fe2 C74 1.780(2) . ?
O1 C67 1.157(3) . ?
O2 C68 1.153(3) . ?
O3 C69 1.154(3) . ?
O4 C70 1.150(3) . ?
O5 C71 1.145(3) . ?
O6 C72 1.158(3) . ?
O7 C73 1.148(3) . ?
O8 C74 1.150(3) . ?
N1 C1 1.344(2) . ?
N1 C2 1.415(2) . ?
N1 C13 1.452(2) . ?
N2 C1 1.336(2) . ?
N2 C3 1.407(2) . ?
N2 C25 1.452(2) . ?
N3 C4 1.409(2) . ?
N3 C6 1.342(2) . ?
N3 C43 1.451(2) . ?
N4 C5 1.419(2) . ?
N4 C6 1.345(2) . ?
N4 C55 1.456(2) . ?
C1 C7 1.479(2) . ?
C2 C3 1.383(2) . ?
C4 C5 1.376(3) . ?
C6 C37 1.478(2) . ?
C7 C8 1.393(3) . ?
C7 C12 1.400(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.393(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.390(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.387(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.404(3) . ?
C13 C18 1.407(2) . ?
C14 C15 1.392(3) . ?
C14 C19 1.520(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.380(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.380(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.391(3) . ?
C18 C22 1.519(3) . ?
C19 H19 1.0000 . ?
C19 C20 1.536(3) . ?
C19 C21 1.547(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22 1.0000 . ?
C22 C23 1.534(3) . ?
C22 C24 1.534(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.409(3) . ?
C25 C30 1.391(3) . ?
C26 C27 1.395(3) . ?
C26 C31 1.526(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.383(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.386(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.402(3) . ?
C30 C34 1.518(3) . ?
C31 H31 1.0000 . ?
C31 C32 1.519(3) . ?
C31 C33 1.527(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34 1.0000 . ?
C34 C35 1.530(3) . ?
C34 C36 1.531(3) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.395(3) . ?
C37 C42 1.394(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.391(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.380(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.384(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.385(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.405(3) . ?
C43 C48 1.402(3) . ?
C44 C45 1.390(3) . ?
C44 C49 1.524(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.388(4) . ?
C46 H46 0.9500 . ?
C46 C47 1.374(4) . ?
C47 H47 0.9500 . ?
C47 C48 1.399(3) . ?
C48 C52 1.514(3) . ?
C49 H49 1.0000 . ?
C49 C50 1.524(3) . ?
C49 C51 1.532(3) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52 1.0000 . ?
C52 C53 1.532(3) . ?
C52 C54 1.541(3) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.408(3) . ?
C55 C60 1.401(3) . ?
C56 C57 1.399(3) . ?
C56 C61 1.517(3) . ?
C57 H57 0.9500 . ?
C57 C58 1.380(3) . ?
C58 H58 0.9500 . ?
C58 C59 1.384(3) . ?
C59 H59 0.9500 . ?
C59 C60 1.399(3) . ?
C60 C64 1.522(3) . ?
C61 H61 1.0000 . ?
C61 C62 1.531(3) . ?
C61 C63 1.534(3) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64 1.0000 . ?
C64 C65 1.537(3) . ?
C64 C66 1.540(3) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C75 H75 0.9500 . ?
C75 C76 1.386(3) . ?
C75 C80 1.382(3) . ?
C76 H76 0.9500 . ?
C76 C77 1.390(3) . ?
C77 H77 0.9500 . ?
C77 C78 1.391(4) . ?
C78 H78 0.9500 . ?
C78 C79 1.380(4) . ?
C79 H79 0.9500 . ?
C79 C80 1.390(3) . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C81 C82 1.390(4) . ?
C81 C83 1.381(4) 2_676 ?
C82 H82 0.9500 . ?
C82 C83 1.385(4) . ?
C83 H83 0.9500 . ?
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
Ga1 C2 C3 Ga2 -37.4(2) . . . . ?
Ga1 C2 C3 N2 156.55(12) . . . . ?
Ga1 C4 C5 Ga2 -34.8(2) . . . . ?
Ga1 C4 C5 N4 162.91(12) . . . . ?
N1 C1 C7 C8 47.5(3) . . . . ?
N1 C1 C7 C12 -133.2(2) . . . . ?
N1 C2 C3 Ga2 163.99(12) . . . . ?
N1 C2 C3 N2 -2.09(18) . . . . ?
N1 C13 C14 C15 -179.25(17) . . . . ?
N1 C13 C14 C19 -3.1(3) . . . . ?
N1 C13 C18 C17 178.53(16) . . . . ?
N1 C13 C18 C22 -1.4(3) . . . . ?
N2 C1 C7 C8 -128.1(2) . . . . ?
N2 C1 C7 C12 51.2(3) . . . . ?
N2 C25 C26 C27 172.02(17) . . . . ?
N2 C25 C26 C31 -7.0(3) . . . . ?
N2 C25 C30 C29 -172.38(16) . . . . ?
N2 C25 C30 C34 6.0(3) . . . . ?
N3 C4 C5 Ga2 160.87(12) . . . . ?
N3 C4 C5 N4 -1.43(19) . . . . ?
N3 C6 C37 C38 54.9(3) . . . . ?
N3 C6 C37 C42 -121.6(2) . . . . ?
N3 C43 C44 C45 176.83(18) . . . . ?
N3 C43 C44 C49 -2.4(3) . . . . ?
N3 C43 C48 C47 -177.53(18) . . . . ?
N3 C43 C48 C52 0.2(3) . . . . ?
N4 C6 C37 C38 -131.2(2) . . . . ?
N4 C6 C37 C42 52.3(3) . . . . ?
N4 C55 C56 C57 175.06(16) . . . . ?
N4 C55 C56 C61 -4.6(3) . . . . ?
N4 C55 C60 C59 -173.64(16) . . . . ?
N4 C55 C60 C64 7.3(3) . . . . ?
C1 N1 C2 Ga1 -156.49(13) . . . . ?
C1 N1 C2 C3 0.22(19) . . . . ?
C1 N1 C13 C14 71.1(2) . . . . ?
C1 N1 C13 C18 -105.4(2) . . . . ?
C1 N2 C3 Ga2 -162.06(13) . . . . ?
C1 N2 C3 C2 3.35(19) . . . . ?
C1 N2 C25 C26 -89.0(2) . . . . ?
C1 N2 C25 C30 82.8(2) . . . . ?
C1 C7 C8 C9 179.47(18) . . . . ?
C1 C7 C12 C11 -179.20(19) . . . . ?
C2 N1 C1 N2 1.86(19) . . . . ?
C2 N1 C1 C7 -174.39(16) . . . . ?
C2 N1 C13 C14 -118.13(19) . . . . ?
C2 N1 C13 C18 65.3(2) . . . . ?
C3 N2 C1 N1 -3.23(19) . . . . ?
C3 N2 C1 C7 173.05(16) . . . . ?
C3 N2 C25 C26 82.1(2) . . . . ?
C3 N2 C25 C30 -106.1(2) . . . . ?
C4 N3 C6 N4 -3.1(2) . . . . ?
C4 N3 C6 C37 171.84(17) . . . . ?
C4 N3 C43 C44 80.5(2) . . . . ?
C4 N3 C43 C48 -103.9(2) . . . . ?
C5 N4 C6 N3 2.1(2) . . . . ?
C5 N4 C6 C37 -172.60(17) . . . . ?
C5 N4 C55 C56 64.3(2) . . . . ?
C5 N4 C55 C60 -120.21(19) . . . . ?
C6 N3 C4 Ga1 -160.88(13) . . . . ?
C6 N3 C4 C5 2.81(19) . . . . ?
C6 N3 C43 C44 -88.6(2) . . . . ?
C6 N3 C43 C48 87.0(2) . . . . ?
C6 N4 C5 Ga2 -161.28(13) . . . . ?
C6 N4 C5 C4 -0.38(19) . . . . ?
C6 N4 C55 C56 -99.9(2) . . . . ?
C6 N4 C55 C60 75.6(2) . . . . ?
C6 C37 C38 C39 -175.33(18) . . . . ?
C6 C37 C42 C41 174.95(19) . . . . ?
C7 C8 C9 C10 -0.3(3) . . . . ?
C8 C7 C12 C11 0.2(3) . . . . ?
C8 C9 C10 C11 0.3(3) . . . . ?
C9 C10 C11 C12 0.0(4) . . . . ?
C10 C11 C12 C7 -0.2(3) . . . . ?
C12 C7 C8 C9 0.1(3) . . . . ?
C13 N1 C1 N2 173.92(15) . . . . ?
C13 N1 C1 C7 -2.3(3) . . . . ?
C13 N1 C2 Ga1 31.6(2) . . . . ?
C13 N1 C2 C3 -171.65(16) . . . . ?
C13 C14 C15 C16 1.6(3) . . . . ?
C13 C14 C19 C20 125.7(2) . . . . ?
C13 C14 C19 C21 -113.1(2) . . . . ?
C13 C18 C22 C23 130.3(2) . . . . ?
C13 C18 C22 C24 -107.0(2) . . . . ?
C14 C13 C18 C17 2.1(3) . . . . ?
C14 C13 C18 C22 -177.87(17) . . . . ?
C14 C15 C16 C17 0.5(3) . . . . ?
C15 C14 C19 C20 -58.2(2) . . . . ?
C15 C14 C19 C21 62.9(2) . . . . ?
C15 C16 C17 C18 -1.4(3) . . . . ?
C16 C17 C18 C13 0.1(3) . . . . ?
C16 C17 C18 C22 -179.90(18) . . . . ?
C17 C18 C22 C23 -49.7(2) . . . . ?
C17 C18 C22 C24 73.0(2) . . . . ?
C18 C13 C14 C15 -2.9(3) . . . . ?
C18 C13 C14 C19 173.19(18) . . . . ?
C19 C14 C15 C16 -174.78(19) . . . . ?
C25 N2 C1 N1 169.25(15) . . . . ?
C25 N2 C1 C7 -14.5(3) . . . . ?
C25 N2 C3 Ga2 26.0(2) . . . . ?
C25 N2 C3 C2 -168.57(16) . . . . ?
C25 C26 C27 C28 -0.2(3) . . . . ?
C25 C26 C31 C32 -104.1(2) . . . . ?
C25 C26 C31 C33 132.4(2) . . . . ?
C25 C30 C34 C35 -122.2(2) . . . . ?
C25 C30 C34 C36 114.6(2) . . . . ?
C26 C25 C30 C29 -1.2(3) . . . . ?
C26 C25 C30 C34 177.14(18) . . . . ?
C26 C27 C28 C29 0.3(3) . . . . ?
C27 C26 C31 C32 77.0(3) . . . . ?
C27 C26 C31 C33 -46.6(3) . . . . ?
C27 C28 C29 C30 -0.9(3) . . . . ?
C28 C29 C30 C25 1.3(3) . . . . ?
C28 C29 C30 C34 -177.13(18) . . . . ?
C29 C30 C34 C35 56.1(2) . . . . ?
C29 C30 C34 C36 -67.1(2) . . . . ?
C30 C25 C26 C27 0.7(3) . . . . ?
C30 C25 C26 C31 -178.33(18) . . . . ?
C31 C26 C27 C28 178.82(19) . . . . ?
C37 C38 C39 C40 0.3(3) . . . . ?
C38 C37 C42 C41 -1.6(3) . . . . ?
C38 C39 C40 C41 -1.3(3) . . . . ?
C39 C40 C41 C42 0.8(3) . . . . ?
C40 C41 C42 C37 0.6(3) . . . . ?
C42 C37 C38 C39 1.1(3) . . . . ?
C43 N3 C4 Ga1 28.8(2) . . . . ?
C43 N3 C4 C5 -167.54(17) . . . . ?
C43 N3 C6 N4 167.66(16) . . . . ?
C43 N3 C6 C37 -17.4(3) . . . . ?
C43 C44 C45 C46 0.0(3) . . . . ?
C43 C44 C49 C50 138.1(2) . . . . ?
C43 C44 C49 C51 -99.0(2) . . . . ?
C43 C48 C52 C53 121.1(2) . . . . ?
C43 C48 C52 C54 -116.5(2) . . . . ?
C44 C43 C48 C47 -2.2(3) . . . . ?
C44 C43 C48 C52 175.55(18) . . . . ?
C44 C45 C46 C47 -0.3(4) . . . . ?
C45 C44 C49 C50 -41.1(3) . . . . ?
C45 C44 C49 C51 81.8(2) . . . . ?
C45 C46 C47 C48 -0.6(4) . . . . ?
C46 C47 C48 C43 1.8(3) . . . . ?
C46 C47 C48 C52 -176.1(2) . . . . ?
C47 C48 C52 C53 -61.2(2) . . . . ?
C47 C48 C52 C54 61.2(3) . . . . ?
C48 C43 C44 C45 1.4(3) . . . . ?
C48 C43 C44 C49 -177.86(18) . . . . ?
C49 C44 C45 C46 179.2(2) . . . . ?
C55 N4 C5 Ga2 32.8(2) . . . . ?
C55 N4 C5 C4 -166.32(16) . . . . ?
C55 N4 C6 N3 168.70(15) . . . . ?
C55 N4 C6 C37 -6.0(3) . . . . ?
C55 C56 C57 C58 -1.4(3) . . . . ?
C55 C56 C61 C62 -107.7(2) . . . . ?
C55 C56 C61 C63 128.7(2) . . . . ?
C55 C60 C64 C65 124.3(2) . . . . ?
C55 C60 C64 C66 -114.5(2) . . . . ?
C56 C55 C60 C59 1.6(3) . . . . ?
C56 C55 C60 C64 -177.49(17) . . . . ?
C56 C57 C58 C59 1.8(3) . . . . ?
C57 C56 C61 C62 72.6(2) . . . . ?
C57 C56 C61 C63 -51.0(3) . . . . ?
C57 C58 C59 C60 -0.5(3) . . . . ?
C58 C59 C60 C55 -1.2(3) . . . . ?
C58 C59 C60 C64 177.96(18) . . . . ?
C59 C60 C64 C65 -54.7(2) . . . . ?
C59 C60 C64 C66 66.5(2) . . . . ?
C60 C55 C56 C57 -0.3(3) . . . . ?
C60 C55 C56 C61 180.00(17) . . . . ?
C61 C56 C57 C58 178.31(18) . . . . ?
C75 C76 C77 C78 -0.8(3) . . . . ?
C76 C75 C80 C79 -0.4(3) . . . . ?
C76 C77 C78 C79 -0.1(3) . . . . ?
C77 C78 C79 C80 0.7(3) . . . . ?
C78 C79 C80 C75 -0.5(3) . . . . ?
C80 C75 C76 C77 1.0(3) . . . . ?
C81 C82 C83 C81 -0.2(4) . . . 2_676 ?
C83 C81 C82 C83 0.2(4) 2_676 . . . ?
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
4.7380 -7.4264 -4.5986 -0.3243 -0.9166 -0.2337
1.0037 -9.2488 2.0206 -0.1989 -0.5607 -0.8037
-2.9191 -7.0659 7.3754 0.0023 0.0088 -1.0000
-2.2441 9.1616 -0.0241 0.2494 0.7037 0.6653
0.2251 8.9666 -3.8547 0.1427 0.4015 0.9047
2.6641 0.0751 13.9943 -0.9028 0.4301 0.0089
1.4178 -2.5761 15.7518 -0.8413 0.4004 -0.3631
-3.4062 -2.2515 -11.0502 0.8569 -0.4085 -0.3145
-5.3059 -3.4516 8.8342 0.2029 0.4276 -0.8809
-4.9438 7.5776 3.0117 0.4160 0.8728 0.2552
2.7755 -5.7534 -11.2344 0.1811 -0.9739 -0.1365
1.7573 7.3552 -9.8971 0.2358 -0.0301 0.9713
-4.2786 1.9403 -11.9241 0.9914 -0.1300 0.0155
-3.2577 3.8933 -13.4635 0.9454 -0.1237 0.3015
0.8155 1.9005 -16.5921 0.6308 -0.5987 0.4936
1.4250 3.6511 12.4955 -0.7005 0.6638 0.2620
1.5246 -8.3266 9.2500 -0.5707 -0.2360 -0.7865
5.5556 -5.5571 6.8115 -0.9105 -0.3775 -0.1687
0.9502 8.0992 -8.6553 0.2711 0.1116 0.9561
-2.0617 -0.7615 -14.3772 0.8528 -0.5220 -0.0179
2.1319 -5.3337 13.8936 -0.8396 0.1106 -0.5318
3.4618 -3.5599 13.2720 -0.9596 0.1261 -0.2514
