#------------------------------------------------------------------------------
#$Date: 2025-12-10 02:58:29 +0100 (Wed 10 de Dec de 2025) $
#$Revision: 304156 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/41/7064164.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_7064164
loop_
_publ_author_name
'Bardonov, Daniil'
'Nasyrova, Darina'
'Metlin, Mikhail T.'
'Minyaev, Mikhail E.'
'Taydakov, Ilya V.'
'Roitershtein, Dmitrii M.'
_publ_section_title
;
 Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear
 Alkali Metal 2,6-dibenzhydryl-4-methylphenolates
;
_journal_name_full               'New Journal of Chemistry'
_journal_paper_doi               10.1039/D5NJ03734D
_journal_year                    2026
_chemical_formula_moiety         'C74 H70 K2 O4'
_chemical_formula_sum            'C74 H70 K2 O4'
_chemical_formula_weight         1101.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2025-11-30
_audit_creation_method
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_audit_update_record
;
2025-12-01 deposited with the CCDC.	2025-12-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.3370(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.22670(10)
_cell_length_b                   14.83450(10)
_cell_length_c                   17.17330(10)
_cell_measurement_reflns_used    28594
_cell_measurement_temperature    99.97(18)
_cell_measurement_theta_max      77.5450
_cell_measurement_theta_min      3.7640
_cell_volume                     2989.08(4)
_computing_cell_refinement       'CrysAlisPro 1.171.42.79a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.79a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.79a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.97(18)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_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    -81.00 -16.50   0.50    1.00    --  -86.25 101.00  40.00  129
  2  ω    -81.00  18.50   0.50    0.40    --  -48.70 101.00  40.00  199
  3  ω    -39.00  23.50   0.50    0.40    --  -48.70  38.00 -60.00  125
  4  ω    -14.00  14.00   0.50    0.40    --  -48.70  19.00-120.00   56
  5  ω    -43.00  19.50   0.50    0.40    --  -48.70  38.00-180.00  125
  6  ω     61.00 111.00   0.50    1.00    --  107.75-125.00-120.00  100
  7  ω     68.00 111.50   0.50    1.00    --  107.75-125.00 -30.00   87
  8  ω     40.00 106.00   0.50    1.00    --  107.75-104.00   3.72  132
  9  ω     52.00  84.00   0.50    1.00    --  107.75-125.00  60.00   64
 10  ω     78.00 106.00   0.50    1.00    --  107.75-108.00  24.77   56
 11  ω     76.00 106.50   0.50    1.00    --  107.75-114.00  12.21   61
 12  ω     47.00  73.50   0.50    1.00    --  107.75-101.00 -64.00   53
 13  ω     66.00  92.50   0.50    1.00    --  107.75 -95.00 -30.00   53
 14  ω      4.00  81.50   0.50    0.40    --   48.70-101.00 -64.00  155
 15  ω     36.00  66.50   0.50    1.00    --  107.75 -95.00  60.00   61
 16  ω     36.00  72.00   0.50    1.00    --  107.75 -95.00  90.00   72
 17  ω     45.00  83.00   0.50    1.00    --  107.75 -85.00 177.72   76
 18  ω     41.00  81.50   0.50    1.00    --  107.75 -98.00  89.01   81
 19  ω     78.00 104.50   0.50    1.00    --  107.75 -95.00  90.00   53
 20  ω     78.00 104.50   0.50    1.00    --  107.75 -95.00  60.00   53
 21  ω     73.00 123.50   0.50    1.00    --  107.75 -85.00  91.39  101
 22  ω     96.00 126.00   0.50    1.00    --  107.75 -85.00 177.72   60
 23  ω     45.00  71.50   0.50    1.00    --  107.75 -89.00  -2.08   53
 24  ω     84.00 110.50   0.50    1.00    --  107.75 -83.00 -94.59   53
 25  ω     51.00  83.00   0.50    1.00    --  107.75 -83.00 -94.59   64
 26  ω     36.00  78.00   0.50    1.00    --  107.75 -77.00-120.00   84
 27  ω     36.00  70.00   0.50    1.00    --  107.75 -61.00-150.00   68
 28  ω     38.00  72.50   0.50    1.00    --  107.75 -77.00 -60.00   69
 29  ω     44.00  69.50   0.50    1.00    --  107.75 -77.00   0.00   51
 30  ω     70.00  98.50   0.50    1.00    --  107.75 -77.00   0.00   57
 31  ω     37.00  71.00   0.50    1.00    --  107.75 -61.00 120.00   68
 32  ω    126.00 162.00   0.50    1.00    --  107.75  15.00 -30.00   72
 33  ω    125.00 175.50   0.50    1.00    --  107.75  77.00  30.00  101
 34  ω     97.00 123.50   0.50    1.00    --  107.75  77.00  30.00   53
 35  ω    102.00 127.50   0.50    1.00    --  107.75  45.00 -30.00   51
 36  ω    103.00 135.50   0.50    1.00    --  107.75  45.00-150.00   65
 37  ω    143.00 177.00   0.50    1.00    --  107.75  45.00-150.00   68
 38  ω    145.00 175.50   0.50    1.00    --  107.75  77.00-180.00   61
 39  ω    100.00 174.50   0.50    1.00    --  107.75  45.00-180.00  149
 40  ω     86.00 122.00   0.50    1.00    --  107.75  77.00-180.00   72
 41  ω    115.00 163.00   0.50    1.00    --  107.75  30.00 -90.00   96
 42  ω    141.00 166.50   0.50    1.00    --  107.75  45.00 -30.00   51
 43  ω    105.00 131.50   0.50    1.00    --  107.75  45.00   0.00   53
 44  ω    100.00 136.00   0.50    1.00    --  107.75  30.00  30.00   72
 45  ω    100.00 156.00   0.50    1.00    --  107.75  30.00 120.00  112
 46  ω    140.00 166.50   0.50    1.00    --  107.75 125.00  90.00   53
 47  ω     97.00 131.50   0.50    1.00    --  107.75 125.00 150.00   69
 48  ω    110.00 140.50   0.50    1.00    --  107.75 101.00  40.00   61
 49  ω    107.00 161.00   0.50    1.00    --  107.75  98.00-109.32  108
 50  ω   -145.00-119.50   0.50    1.00    --  -86.25-101.00 -64.00   51
 51  ω   -117.00 -74.50   0.50    0.40    --  -48.70-125.00  90.00   85
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0476338000
_diffrn_orient_matrix_UB_12      0.0967144000
_diffrn_orient_matrix_UB_13      0.0080463000
_diffrn_orient_matrix_UB_21      0.0715037000
_diffrn_orient_matrix_UB_22      -0.0206354000
_diffrn_orient_matrix_UB_23      0.0874304000
_diffrn_orient_matrix_UB_31      0.0992889000
_diffrn_orient_matrix_UB_32      -0.0317768000
_diffrn_orient_matrix_UB_33      -0.0320442000
_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  0.0265
_diffrn_reflns_av_unetI/netI     0.0180
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            40549
_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         77.868
_diffrn_reflns_theta_min         3.767
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.787
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.436
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.79a (Rigaku Oxford Diffraction, 2022)
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_density_diffrn    1.224
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.282
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         6373
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0357
_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)+(0.0457P)²+1.3177P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.0943
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6169
_reflns_number_total             6373
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj03734d2.cif
_cod_data_source_block           koar
_cod_original_cell_volume        2989.07(4)
_cod_database_code               7064164
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C20H20O2K
_chemical_oxdiff_usercomment     KOAr
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.763
_shelx_estimated_absorpt_t_min   0.634
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C18(H18), C19(H19), C21(H21), C26(H26), C27(H27)
2.b Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C35(H35A,H35B), C36(H36A,H36B), C37(H37A,H37B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15),
 C16(H16), C17(H17), C23(H23), C24(H24), C25(H25), C29(H29), C30(H30), C31(H31),
  C32(H32), C33(H33)
2.d Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C)
;
_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 1.371
_oxdiff_exptl_absorpt_empirical_full_min 0.753
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
K1 K -0.04179(2) 0.62488(2) 0.50407(2) 0.01847(8) Uani 1 1 d . . . . .
O1 O 0.12411(7) 0.52005(6) 0.57436(5) 0.01797(17) Uani 1 1 d . . . . .
O2 O 0.07203(9) 0.78117(7) 0.57602(7) 0.0378(3) Uani 1 1 d . . . . .
C1 C 0.23075(9) 0.53577(8) 0.61308(7) 0.0159(2) Uani 1 1 d . . . . .
C2 C 0.27553(10) 0.51468(8) 0.69683(7) 0.0169(2) Uani 1 1 d . . . . .
C3 C 0.38919(10) 0.53326(8) 0.73699(7) 0.0192(2) Uani 1 1 d . . . . .
H3 H 0.417246 0.519328 0.793082 0.023 Uiso 1 1 calc R U . . .
C4 C 0.46311(10) 0.57171(8) 0.69739(7) 0.0197(2) Uani 1 1 d . . . . .
C5 C 0.42017(10) 0.59030(8) 0.61450(7) 0.0183(2) Uani 1 1 d . . . . .
H5 H 0.469290 0.615874 0.586313 0.022 Uiso 1 1 calc R U . . .
C6 C 0.30746(10) 0.57233(8) 0.57232(7) 0.0166(2) Uani 1 1 d . . . . .
C7 C 0.19176(10) 0.46883(8) 0.73513(7) 0.0179(2) Uani 1 1 d . . . . .
H7 H 0.119877 0.504865 0.717632 0.021 Uiso 1 1 calc R U . . .
C8 C 0.22657(11) 0.46994(8) 0.82732(7) 0.0209(2) Uani 1 1 d . . . . .
C9 C 0.17345(12) 0.53040(9) 0.86751(8) 0.0253(3) Uani 1 1 d . . . . .
H9 H 0.114767 0.568567 0.836631 0.030 Uiso 1 1 calc R U . . .
C10 C 0.20472(14) 0.53582(10) 0.95176(9) 0.0330(3) Uani 1 1 d . . . . .
H10 H 0.167445 0.577181 0.977991 0.040 Uiso 1 1 calc R U . . .
C11 C 0.29006(15) 0.48088(11) 0.99703(9) 0.0361(3) Uani 1 1 d . . . . .
H11 H 0.312180 0.484708 1.054571 0.043 Uiso 1 1 calc R U . . .
C12 C 0.34354(14) 0.42012(10) 0.95860(9) 0.0347(3) Uani 1 1 d . . . . .
H12 H 0.402376 0.382388 0.989924 0.042 Uiso 1 1 calc R U . . .
C13 C 0.31139(12) 0.41405(9) 0.87403(8) 0.0277(3) Uani 1 1 d . . . . .
H13 H 0.347650 0.371495 0.848199 0.033 Uiso 1 1 calc R U . . .
C14 C 0.16044(10) 0.37390(8) 0.70095(7) 0.0180(2) Uani 1 1 d . . . . .
C15 C 0.05499(10) 0.33716(8) 0.70077(7) 0.0206(2) Uani 1 1 d . . . . .
H15 H 0.006611 0.369934 0.725230 0.025 Uiso 1 1 calc R U . . .
C16 C 0.01932(11) 0.25403(9) 0.66575(8) 0.0249(3) Uani 1 1 d . . . . .
H16 H -0.053699 0.231387 0.664879 0.030 Uiso 1 1 calc R U . . .
C17 C 0.09047(12) 0.20394(9) 0.63197(8) 0.0270(3) Uani 1 1 d . . . . .
H17 H 0.066653 0.146831 0.608176 0.032 Uiso 1 1 calc R U . . .
C18 C 0.19673(12) 0.23808(9) 0.63329(8) 0.0255(3) Uani 1 1 d . . . . .
H18 H 0.253537 0.197826 0.618679 0.031 Uiso 1 1 calc R U . . .
C19 C 0.23124(11) 0.32276(8) 0.66709(7) 0.0218(2) Uani 1 1 d . . . . .
H19 H 0.312248 0.341852 0.675877 0.026 Uiso 1 1 calc R U . . .
C20 C 0.58672(11) 0.58972(11) 0.74157(8) 0.0279(3) Uani 1 1 d . . . . .
H20A H 0.605304 0.652496 0.732868 0.042 Uiso 1 1 calc R U . . .
H20B H 0.635433 0.549404 0.720738 0.042 Uiso 1 1 calc R U . . .
H20C H 0.599529 0.578928 0.799754 0.042 Uiso 1 1 calc R U . . .
C21 C 0.26013(9) 0.58139(8) 0.48082(7) 0.0167(2) Uani 1 1 d . . . . .
H21 H 0.183982 0.611074 0.470683 0.020 Uiso 1 1 calc R U . . .
C22 C 0.23842(10) 0.48816(8) 0.44179(7) 0.0170(2) Uani 1 1 d . . . . .
C23 C 0.30562(10) 0.41407(8) 0.47424(8) 0.0213(2) Uani 1 1 d . . . . .
H23 H 0.366082 0.420978 0.522659 0.026 Uiso 1 1 calc R U . . .
C24 C 0.28571(11) 0.33005(9) 0.43694(8) 0.0250(3) Uani 1 1 d . . . . .
H24 H 0.332633 0.280311 0.459977 0.030 Uiso 1 1 calc R U . . .
C25 C 0.19761(11) 0.31848(9) 0.36618(8) 0.0257(3) Uani 1 1 d . . . . .
H25 H 0.184169 0.261205 0.340514 0.031 Uiso 1 1 calc R U . . .
C26 C 0.12962(11) 0.39159(10) 0.33357(8) 0.0269(3) Uani 1 1 d . . . . .
H26 H 0.073406 0.386187 0.278788 0.032 Uiso 1 1 calc R U . . .
C27 C 0.15005(11) 0.47546(9) 0.37096(7) 0.0232(3) Uani 1 1 d . . . . .
H27 H 0.110282 0.529500 0.341236 0.028 Uiso 1 1 calc R U . . .
C28 C 0.33015(10) 0.64015(8) 0.44001(7) 0.0184(2) Uani 1 1 d . . . . .
C29 C 0.40094(10) 0.60380(9) 0.39751(7) 0.0211(2) Uani 1 1 d . . . . .
H29 H 0.409915 0.540264 0.396125 0.025 Uiso 1 1 calc R U . . .
C30 C 0.45893(11) 0.65890(10) 0.35693(8) 0.0266(3) Uani 1 1 d . . . . .
H30 H 0.506260 0.632768 0.327619 0.032 Uiso 1 1 calc R U . . .
C31 C 0.44798(12) 0.75151(11) 0.35909(10) 0.0338(3) Uani 1 1 d . . . . .
H31 H 0.487169 0.789186 0.331101 0.041 Uiso 1 1 calc R U . . .
C32 C 0.37912(13) 0.78896(10) 0.40256(11) 0.0376(4) Uani 1 1 d . . . . .
H32 H 0.371946 0.852600 0.404939 0.045 Uiso 1 1 calc R U . . .
C33 C 0.32071(12) 0.73380(9) 0.44256(9) 0.0289(3) Uani 1 1 d . . . . .
H33 H 0.273726 0.760126 0.472046 0.035 Uiso 1 1 calc R U . . .
C34 C 0.01780(13) 0.86224(10) 0.59001(9) 0.0335(3) Uani 1 1 d . . . . .
H34A H -0.041438 0.849009 0.617580 0.040 Uiso 1 1 calc R U . . .
H34B H -0.018432 0.893189 0.538084 0.040 Uiso 1 1 calc R U . . .
C35 C 0.11155(13) 0.92073(10) 0.64369(9) 0.0312(3) Uani 1 1 d . . . . .
H35A H 0.137616 0.966815 0.611202 0.037 Uiso 1 1 calc R U . . .
H35B H 0.084869 0.951235 0.686268 0.037 Uiso 1 1 calc R U . . .
C36 C 0.20586(18) 0.85403(14) 0.68063(14) 0.0605(6) Uani 1 1 d . . . . .
H36A H 0.274678 0.867424 0.663133 0.073 Uiso 1 1 calc R U . . .
H36B H 0.226280 0.856256 0.740625 0.073 Uiso 1 1 calc R U . . .
C37 C 0.15843(17) 0.76380(12) 0.65022(11) 0.0470(4) Uani 1 1 d . . . . .
H37A H 0.218678 0.724531 0.640416 0.056 Uiso 1 1 calc R U . . .
H37B H 0.125424 0.733989 0.689997 0.056 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'
K K 0.3868 1.0657 '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
8 -3 -2 0.0714
1 1 10 0.0770
-8 3 4 0.1341
0 6 -9 0.0933
0 -6 8 0.0836
1 6 8 0.0529
1 -6 -9 0.0722
-1 -10 2 0.0891
3 9 -3 0.0839
0 -2 -10 0.0854
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 K1 O1 83.21(3) . 3_566 ?
O1 K1 O2 171.35(3) 3_566 . ?
O1 K1 O2 93.73(3) . . ?
O1 K1 C14 122.56(3) . 3_566 ?
O1 K1 C14 58.43(3) 3_566 3_566 ?
O1 K1 C17 107.27(3) 3_566 3_566 ?
O1 K1 C17 137.67(3) . 3_566 ?
O1 K1 C18 158.68(3) . 3_566 ?
O1 K1 C18 94.54(3) 3_566 3_566 ?
O1 K1 C19 145.90(3) . 3_566 ?
O1 K1 C19 69.95(3) 3_566 3_566 ?
O1 K1 C22 95.87(3) . 3_566 ?
O1 K1 C22 60.83(3) 3_566 3_566 ?
O1 K1 C23 70.94(3) 3_566 3_566 ?
O1 K1 C23 119.57(3) . 3_566 ?
O1 K1 C25 109.70(3) 3_566 3_566 ?
O1 K1 C25 110.69(3) . 3_566 ?
O1 K1 C26 102.07(3) 3_566 3_566 ?
O1 K1 C26 87.68(3) . 3_566 ?
O1 K1 C27 79.85(3) . 3_566 ?
O1 K1 C27 77.76(3) 3_566 3_566 ?
O2 K1 C14 117.68(3) . 3_566 ?
O2 K1 C17 69.72(3) . 3_566 ?
O2 K1 C18 85.36(3) . 3_566 ?
O2 K1 C19 109.66(3) . 3_566 ?
O2 K1 C22 127.68(3) . 3_566 ?
O2 K1 C23 117.43(3) . 3_566 ?
O2 K1 C25 78.94(3) . 3_566 ?
O2 K1 C26 85.83(3) . 3_566 ?
O2 K1 C27 109.73(3) . 3_566 ?
C14 K1 C25 121.22(3) 3_566 3_566 ?
C17 K1 C14 48.91(3) 3_566 3_566 ?
C17 K1 C23 102.41(3) 3_566 3_566 ?
C17 K1 C25 104.07(4) 3_566 3_566 ?
C18 K1 C14 42.50(3) 3_566 3_566 ?
C18 K1 C17 23.96(3) 3_566 3_566 ?
C18 K1 C19 24.59(3) 3_566 3_566 ?
C18 K1 C23 79.07(3) 3_566 3_566 ?
C18 K1 C25 90.08(3) 3_566 3_566 ?
C19 K1 C14 23.96(3) 3_566 3_566 ?
C19 K1 C17 42.47(3) 3_566 3_566 ?
C19 K1 C23 71.70(3) 3_566 3_566 ?
C19 K1 C25 98.23(3) 3_566 3_566 ?
C22 K1 C14 99.37(3) 3_566 3_566 ?
C22 K1 C17 125.40(3) 3_566 3_566 ?
C22 K1 C18 101.53(3) 3_566 3_566 ?
C22 K1 C19 89.19(3) 3_566 3_566 ?
C22 K1 C23 23.98(3) 3_566 3_566 ?
C22 K1 C25 49.63(3) 3_566 3_566 ?
C23 K1 C14 88.44(3) 3_566 3_566 ?
C23 K1 C25 41.44(3) 3_566 3_566 ?
C26 K1 C14 137.32(3) 3_566 3_566 ?
C26 K1 C17 127.48(4) 3_566 3_566 ?
C26 K1 C18 113.45(4) 3_566 3_566 ?
C26 K1 C19 117.60(3) 3_566 3_566 ?
C26 K1 C22 43.55(3) 3_566 3_566 ?
C26 K1 C23 48.99(3) 3_566 3_566 ?
C26 K1 C25 23.78(3) 3_566 3_566 ?
C27 K1 C14 124.11(3) 3_566 3_566 ?
C27 K1 C17 142.01(4) 3_566 3_566 ?
C27 K1 C18 120.52(3) 3_566 3_566 ?
C27 K1 C19 113.02(3) 3_566 3_566 ?
C27 K1 C22 24.87(3) 3_566 3_566 ?
C27 K1 C23 42.33(3) 3_566 3_566 ?
C27 K1 C25 42.55(3) 3_566 3_566 ?
C27 K1 C26 24.83(3) 3_566 3_566 ?
K1 O1 K1 96.79(3) . 3_566 ?
C1 O1 K1 132.31(7) . . ?
C1 O1 K1 126.85(7) . 3_566 ?
C34 O2 K1 125.08(9) . . ?
C34 O2 C37 105.28(11) . . ?
C37 O2 K1 113.19(9) . . ?
O1 C1 C2 121.35(10) . . ?
O1 C1 C6 121.18(10) . . ?
C2 C1 K1 115.60(7) . 3_566 ?
C2 C1 C6 117.44(10) . . ?
C6 C1 K1 113.12(7) . 3_566 ?
C1 C2 C7 114.85(10) . . ?
C3 C2 C1 120.22(11) . . ?
C3 C2 C7 124.89(11) . . ?
C2 C3 H3 118.9 . . ?
C2 C3 C4 122.11(11) . . ?
C4 C3 H3 118.9 . . ?
C3 C4 C5 117.83(11) . . ?
C3 C4 C20 121.35(11) . . ?
C5 C4 C20 120.78(11) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 C4 121.71(11) . . ?
C6 C5 H5 119.1 . . ?
C1 C6 C21 115.43(10) . . ?
C5 C6 C1 120.63(11) . . ?
C5 C6 C21 123.71(10) . . ?
C2 C7 H7 105.8 . . ?
C2 C7 C14 111.75(10) . . ?
C8 C7 C2 114.80(10) . . ?
C8 C7 H7 105.8 . . ?
C8 C7 C14 112.07(10) . . ?
C14 C7 H7 105.8 . . ?
C9 C8 C7 119.24(11) . . ?
C13 C8 C7 122.60(11) . . ?
C13 C8 C9 118.15(12) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 C8 121.38(13) . . ?
C10 C9 H9 119.3 . . ?
C9 C10 H10 120.2 . . ?
C11 C10 C9 119.69(14) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 119.99(13) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.33(14) . . ?
C13 C12 H12 119.8 . . ?
C8 C13 C12 120.46(13) . . ?
C8 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C7 C14 K1 112.25(7) . 3_566 ?
C15 C14 K1 82.86(7) . 3_566 ?
C15 C14 C7 119.33(11) . . ?
C19 C14 K1 72.91(7) . 3_566 ?
C19 C14 C7 122.81(11) . . ?
C19 C14 C15 117.82(11) . . ?
K1 C15 H15 120.0 3_566 . ?
C14 C15 K1 73.92(7) . 3_566 ?
C14 C15 H15 119.2 . . ?
C16 C15 K1 77.80(7) . 3_566 ?
C16 C15 C14 121.62(12) . . ?
C16 C15 H15 119.2 . . ?
K1 C16 H16 117.5 3_566 . ?
C15 C16 K1 79.41(7) . 3_566 ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 119.94(12) . . ?
C17 C16 K1 73.83(7) . 3_566 ?
C17 C16 H16 120.0 . . ?
K1 C17 H17 113.5 3_566 . ?
C16 C17 K1 82.98(8) . 3_566 ?
C16 C17 H17 120.3 . . ?
C18 C17 K1 73.74(7) . 3_566 ?
C18 C17 C16 119.41(12) . . ?
C18 C17 H17 120.3 . . ?
K1 C18 H18 119.4 3_566 . ?
C17 C18 K1 82.30(8) . 3_566 ?
C17 C18 H18 119.4 . . ?
C17 C18 C19 120.40(12) . . ?
C19 C18 K1 77.74(7) . 3_566 ?
C19 C18 H18 119.4 . . ?
K1 C19 H19 119.2 3_566 . ?
C14 C19 K1 83.12(7) . 3_566 ?
C14 C19 C18 120.76(12) . . ?
C14 C19 H19 119.2 . . ?
C18 C19 K1 77.66(7) . 3_566 ?
C18 C19 H19 119.2 . . ?
C4 C20 H20A 109.5 . . ?
C4 C20 H20B 109.5 . . ?
C4 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C6 C21 H21 106.5 . . ?
C6 C21 C22 110.02(9) . . ?
C6 C21 C28 115.23(10) . . ?
C22 C21 H21 106.5 . . ?
C28 C21 H21 106.5 . . ?
C28 C21 C22 111.54(9) . . ?
C21 C22 K1 112.96(7) . 3_566 ?
C23 C22 K1 83.10(7) . 3_566 ?
C23 C22 C21 121.96(10) . . ?
C23 C22 C27 117.92(11) . . ?
C27 C22 K1 74.20(7) . 3_566 ?
C27 C22 C21 120.12(11) . . ?
K1 C23 H23 116.8 3_566 . ?
C22 C23 K1 72.93(7) . 3_566 ?
C22 C23 H23 119.5 . . ?
C22 C23 C24 121.07(12) . . ?
C24 C23 K1 81.35(8) . 3_566 ?
C24 C23 H23 119.5 . . ?
K1 C24 H24 119.7 3_566 . ?
C23 C24 K1 75.32(7) . 3_566 ?
C23 C24 H24 119.8 . . ?
C25 C24 K1 76.16(8) . 3_566 ?
C25 C24 C23 120.38(12) . . ?
C25 C24 H24 119.8 . . ?
K1 C25 H25 117.8 3_566 . ?
C24 C25 K1 80.60(8) . 3_566 ?
C24 C25 H25 120.4 . . ?
C26 C25 K1 71.94(8) . 3_566 ?
C26 C25 C24 119.10(12) . . ?
C26 C25 H25 120.4 . . ?
K1 C26 H26 119.5 3_566 . ?
C25 C26 K1 84.28(8) . 3_566 ?
C25 C26 H26 119.5 . . ?
C25 C26 C27 120.30(12) . . ?
C27 C26 K1 74.47(8) . 3_566 ?
C27 C26 H26 119.5 . . ?
K1 C27 H27 118.9 3_566 . ?
C22 C27 K1 80.93(7) . 3_566 ?
C22 C27 H27 118.9 . . ?
C26 C27 K1 80.70(8) . 3_566 ?
C26 C27 C22 121.23(12) . . ?
C26 C27 H27 118.9 . . ?
C29 C28 C21 122.25(11) . . ?
C29 C28 C33 118.18(12) . . ?
C33 C28 C21 119.54(11) . . ?
C28 C29 H29 119.5 . . ?
C28 C29 C30 121.07(12) . . ?
C30 C29 H29 119.5 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.26(13) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 120.3 . . ?
C30 C31 C32 119.35(13) . . ?
C32 C31 H31 120.3 . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.28(14) . . ?
C33 C32 H32 119.9 . . ?
C28 C33 H33 119.6 . . ?
C32 C33 C28 120.84(13) . . ?
C32 C33 H33 119.6 . . ?
O2 C34 H34A 110.5 . . ?
O2 C34 H34B 110.5 . . ?
O2 C34 C35 106.02(12) . . ?
H34A C34 H34B 108.7 . . ?
C35 C34 H34A 110.5 . . ?
C35 C34 H34B 110.5 . . ?
C34 C35 H35A 111.0 . . ?
C34 C35 H35B 111.0 . . ?
H35A C35 H35B 109.0 . . ?
C36 C35 C34 103.63(12) . . ?
C36 C35 H35A 111.0 . . ?
C36 C35 H35B 111.0 . . ?
C35 C36 H36A 110.7 . . ?
C35 C36 H36B 110.7 . . ?
H36A C36 H36B 108.8 . . ?
C37 C36 C35 105.29(14) . . ?
C37 C36 H36A 110.7 . . ?
C37 C36 H36B 110.7 . . ?
O2 C37 C36 105.47(14) . . ?
O2 C37 H37A 110.6 . . ?
O2 C37 H37B 110.6 . . ?
C36 C37 H37A 110.6 . . ?
C36 C37 H37B 110.6 . . ?
H37A C37 H37B 108.8 . . ?
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
K1 O1 2.5714(8) . ?
K1 O1 2.5859(9) 3_566 ?
K1 O2 2.8056(11) . ?
K1 C14 3.4100(12) 3_566 ?
K1 C17 3.3881(13) 3_566 ?
K1 C18 3.2821(13) 3_566 ?
K1 C19 3.2831(12) 3_566 ?
K1 C22 3.2731(11) 3_566 ?
K1 C23 3.3991(13) 3_566 ?
K1 C25 3.4188(13) 3_566 ?
K1 C26 3.2667(14) 3_566 ?
K1 C27 3.1894(13) 3_566 ?
O1 C1 1.3072(14) . ?
O2 C34 1.4260(18) . ?
O2 C37 1.431(2) . ?
C1 C2 1.4224(16) . ?
C1 C6 1.4259(16) . ?
C2 C3 1.3941(16) . ?
C2 C7 1.5242(16) . ?
C3 H3 0.9500 . ?
C3 C4 1.3965(17) . ?
C4 C5 1.3992(17) . ?
C4 C20 1.5119(16) . ?
C5 H5 0.9500 . ?
C5 C6 1.3904(16) . ?
C6 C21 1.5200(15) . ?
C7 H7 1.0000 . ?
C7 C8 1.5194(16) . ?
C7 C14 1.5323(16) . ?
C8 C9 1.3981(18) . ?
C8 C13 1.3922(19) . ?
C9 H9 0.9500 . ?
C9 C10 1.3911(19) . ?
C10 H10 0.9500 . ?
C10 C11 1.379(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.3968(19) . ?
C13 H13 0.9500 . ?
C14 C15 1.3990(17) . ?
C14 C19 1.3950(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.3875(18) . ?
C16 H16 0.9500 . ?
C16 C17 1.389(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.389(2) . ?
C18 H18 1.0000 . ?
C18 C19 1.3983(18) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21 1.0000 . ?
C21 C22 1.5272(16) . ?
C21 C28 1.5236(16) . ?
C22 C23 1.3914(17) . ?
C22 C27 1.3940(17) . ?
C23 H23 0.9500 . ?
C23 C24 1.3912(18) . ?
C24 H24 0.9500 . ?
C24 C25 1.3892(19) . ?
C25 H25 0.9500 . ?
C25 C26 1.385(2) . ?
C26 H26 1.0000 . ?
C26 C27 1.3900(19) . ?
C27 H27 1.0000 . ?
C28 C29 1.3886(17) . ?
C28 C33 1.3957(18) . ?
C29 H29 0.9500 . ?
C29 C30 1.3908(18) . ?
C30 H30 0.9500 . ?
C30 C31 1.382(2) . ?
C31 H31 0.9500 . ?
C31 C32 1.389(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.388(2) . ?
C33 H33 0.9500 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.524(2) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.516(2) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.493(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
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
K1 O1 C1 K1 -151.87(13) . . . 3_566 ?
K1 O1 C1 C2 -91.21(12) 3_566 . . . ?
K1 O1 C1 C2 116.91(11) . . . . ?
K1 O1 C1 C6 -64.93(14) . . . . ?
K1 O1 C1 C6 86.94(12) 3_566 . . . ?
K1 O2 C34 C35 169.69(9) . . . . ?
K1 O2 C37 C36 -177.98(13) . . . . ?
K1 C1 C2 C3 140.33(9) 3_566 . . . ?
K1 C1 C2 C7 -37.58(12) 3_566 . . . ?
K1 C1 C6 C5 -141.65(9) 3_566 . . . ?
K1 C1 C6 C21 33.06(11) 3_566 . . . ?
K1 C14 C15 C16 64.17(11) 3_566 . . . ?
K1 C14 C19 C18 -71.20(11) 3_566 . . . ?
K1 C15 C16 C17 64.24(11) 3_566 . . . ?
K1 C16 C17 C18 66.84(11) 3_566 . . . ?
K1 C17 C18 C19 70.87(11) 3_566 . . . ?
K1 C18 C19 C14 74.17(11) 3_566 . . . ?
K1 C22 C23 C24 68.37(12) 3_566 . . . ?
K1 C22 C27 C26 -73.25(12) 3_566 . . . ?
K1 C23 C24 C25 63.88(12) 3_566 . . . ?
K1 C24 C25 C26 63.15(12) 3_566 . . . ?
K1 C25 C26 C27 68.27(12) 3_566 . . . ?
K1 C26 C27 C22 73.37(11) 3_566 . . . ?
O1 C1 C2 C3 -179.11(10) . . . . ?
O1 C1 C2 C7 2.98(16) . . . . ?
O1 C1 C6 C5 178.80(10) . . . . ?
O1 C1 C6 C21 -6.50(16) . . . . ?
O2 C34 C35 C36 -19.66(18) . . . . ?
C1 C2 C3 C4 -0.74(18) . . . . ?
C1 C2 C7 C8 -163.60(10) . . . . ?
C1 C2 C7 C14 67.35(13) . . . . ?
C1 C6 C21 C22 -66.88(12) . . . . ?
C1 C6 C21 C28 165.99(10) . . . . ?
C2 C1 C6 C5 -2.97(16) . . . . ?
C2 C1 C6 C21 171.73(10) . . . . ?
C2 C3 C4 C5 -0.97(18) . . . . ?
C2 C3 C4 C20 -178.80(12) . . . . ?
C2 C7 C8 C9 103.42(13) . . . . ?
C2 C7 C8 C13 -75.33(15) . . . . ?
C2 C7 C14 K1 -58.75(10) . . . 3_566 ?
C2 C7 C14 C15 -153.10(11) . . . . ?
C2 C7 C14 C19 24.70(15) . . . . ?
C3 C2 C7 C8 18.60(17) . . . . ?
C3 C2 C7 C14 -110.45(13) . . . . ?
C3 C4 C5 C6 0.66(18) . . . . ?
C4 C5 C6 C1 1.35(18) . . . . ?
C4 C5 C6 C21 -172.90(11) . . . . ?
C5 C6 C21 C22 107.64(12) . . . . ?
C5 C6 C21 C28 -19.49(16) . . . . ?
C6 C1 C2 C3 2.67(16) . . . . ?
C6 C1 C2 C7 -175.25(10) . . . . ?
C6 C21 C22 K1 64.24(10) . . . 3_566 ?
C6 C21 C22 C23 -32.10(15) . . . . ?
C6 C21 C22 C27 148.73(11) . . . . ?
C6 C21 C28 C29 102.79(13) . . . . ?
C6 C21 C28 C33 -79.47(14) . . . . ?
C7 C2 C3 C4 176.95(11) . . . . ?
C7 C8 C9 C10 -178.08(12) . . . . ?
C7 C8 C13 C12 177.41(12) . . . . ?
C7 C14 C15 K1 111.55(10) . . . 3_566 ?
C7 C14 C15 C16 175.71(11) . . . . ?
C7 C14 C19 K1 -105.85(10) . . . 3_566 ?
C7 C14 C19 C18 -177.05(11) . . . . ?
C8 C7 C14 K1 170.77(7) . . . 3_566 ?
C8 C7 C14 C15 76.42(13) . . . . ?
C8 C7 C14 C19 -105.78(13) . . . . ?
C8 C9 C10 C11 0.2(2) . . . . ?
C9 C8 C13 C12 -1.3(2) . . . . ?
C9 C10 C11 C12 -0.6(2) . . . . ?
C10 C11 C12 C13 -0.1(2) . . . . ?
C11 C12 C13 C8 1.0(2) . . . . ?
C13 C8 C9 C10 0.73(19) . . . . ?
C14 C7 C8 C9 -127.68(12) . . . . ?
C14 C7 C8 C13 53.57(15) . . . . ?
C14 C15 C16 K1 -62.23(11) . . . 3_566 ?
C14 C15 C16 C17 2.01(18) . . . . ?
C15 C14 C19 K1 71.98(10) . . . 3_566 ?
C15 C14 C19 C18 0.78(17) . . . . ?
C15 C16 C17 K1 -67.18(11) . . . 3_566 ?
C15 C16 C17 C18 -0.34(19) . . . . ?
C16 C17 C18 K1 -71.91(11) . . . 3_566 ?
C16 C17 C18 C19 -1.04(19) . . . . ?
C17 C18 C19 K1 -73.35(11) . . . 3_566 ?
C17 C18 C19 C14 0.81(19) . . . . ?
C19 C14 C15 K1 -66.36(10) . . . 3_566 ?
C19 C14 C15 C16 -2.20(17) . . . . ?
C20 C4 C5 C6 178.50(11) . . . . ?
C21 C22 C23 K1 112.81(10) . . . 3_566 ?
C21 C22 C23 C24 -178.82(11) . . . . ?
C21 C22 C27 K1 -107.74(10) . . . 3_566 ?
C21 C22 C27 C26 179.01(11) . . . . ?
C21 C28 C29 C30 176.30(11) . . . . ?
C21 C28 C33 C32 -176.81(13) . . . . ?
C22 C21 C28 C29 -23.57(15) . . . . ?
C22 C21 C28 C33 154.17(12) . . . . ?
C22 C23 C24 K1 -64.00(11) . . . 3_566 ?
C22 C23 C24 C25 -0.1(2) . . . . ?
C23 C22 C27 K1 73.06(10) . . . 3_566 ?
C23 C22 C27 C26 -0.19(18) . . . . ?
C23 C24 C25 K1 -63.46(12) . . . 3_566 ?
C23 C24 C25 C26 -0.3(2) . . . . ?
C24 C25 C26 K1 -67.79(12) . . . 3_566 ?
C24 C25 C26 C27 0.5(2) . . . . ?
C25 C26 C27 K1 -73.60(12) . . . 3_566 ?
C25 C26 C27 C22 -0.2(2) . . . . ?
C27 C22 C23 K1 -68.00(10) . . . 3_566 ?
C27 C22 C23 C24 0.36(18) . . . . ?
C28 C21 C22 K1 -166.60(7) . . . 3_566 ?
C28 C21 C22 C23 97.06(13) . . . . ?
C28 C21 C22 C27 -82.11(13) . . . . ?
C28 C29 C30 C31 0.8(2) . . . . ?
C29 C28 C33 C32 1.0(2) . . . . ?
C29 C30 C31 C32 0.4(2) . . . . ?
C30 C31 C32 C33 -0.8(2) . . . . ?
C31 C32 C33 C28 0.1(2) . . . . ?
C33 C28 C29 C30 -1.47(19) . . . . ?
C34 O2 C37 C36 -38.1(2) . . . . ?
C34 C35 C36 C37 -3.1(2) . . . . ?
C35 C36 C37 O2 24.8(2) . . . . ?
C37 O2 C34 C35 36.02(17) . . . . ?
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
7.6102 -2.5611 -1.9938 0.0988 0.4227 0.9009
0.8237 1.0549 10.2522 0.2237 0.9335 -0.2803
-7.5757 2.7745 3.7527 -0.0623 -0.2708 -0.9606
-0.2017 5.7364 -8.5031 0.4768 -0.8762 0.0702
0.4732 -5.8614 8.2707 -0.4778 0.8779 -0.0318
0.9440 6.1266 7.7883 0.7002 0.6220 -0.3505
1.0349 -6.1389 -8.5356 -0.6131 -0.5456 0.5713
-0.5266 -9.5306 1.5446 -0.9344 0.2941 0.2011
2.5533 8.8587 -3.4114 0.9509 -0.2985 0.0813
-0.2494 -1.7437 -10.4199 -0.2644 -0.8929 0.3645
