#------------------------------------------------------------------------------
#$Date: 2026-02-27 01:24:05 +0100 (Fri 27 de Feb de 2026) $
#$Revision: 304647 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/03/7720355.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_7720355
loop_
_publ_author_name
'Škoch, Karel'
'Buziková, Michaela'
'Jakubczyk, Michal'
'Pattanamcheril Anilkumar, Krishna'
'Demel, Jan'
'Litecká, Miroslava'
_publ_section_title
;
 Molybdenum(VI) borano-imido complexes and their application as Lewis acid
 catalysts in homocoupling of diazo compounds
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D6DT00469E
_journal_year                    2026
_chemical_formula_moiety         'C34 H32 B Cl3 Mo N2 P'
_chemical_formula_sum            'C34 H32 B Cl3 Mo N2 P'
_chemical_formula_weight         712.68
_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             2025-12-05
_audit_creation_method
;
Olex2 1.5-ac7-016
(compiled 2025.05.29 svn.r8cd99b3d for Rigaku Oxford Diffraction, GUI svn.r7254)
;
_audit_update_record
;
2026-01-05 deposited with the CCDC.	2026-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                91.7045(5)
_cell_angle_beta                 97.5172(7)
_cell_angle_gamma                118.0068(10)
_cell_formula_units_Z            2
_cell_length_a                   9.72725(10)
_cell_length_b                   10.29523(9)
_cell_length_c                   18.78662(10)
_cell_measurement_reflns_used    37946
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      76.3740
_cell_measurement_theta_min      2.3540
_cell_volume                     1637.81(3)
_computing_cell_refinement       'CrysAlisPro 1.171.44.117a (Rigaku OD, 2025)'
_computing_data_collection
'CrysAlisPro system (CCD 44.108a 64-bit (release 25-04-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.44.117a (Rigaku OD, 2025)'
_computing_molecular_graphics    'Olex2 1.5-ac7-016 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac7-016 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -103.00 -18.00   0.50    2.00    --  -49.50 140.00   2.00  170
  2  ω   -121.00 -68.00   0.50    2.00    --  -49.50-129.00 116.00  106
  3  ω   -121.00 -60.00   0.50    2.00    --  -49.50-140.00 -56.00  122
  4  ω    -77.00 -52.00   0.50    2.00    --  -49.50 129.00-170.00   50
  5  ω     40.00 104.00   0.50    2.00    --   49.50-140.00 -56.00  128
  6  ω     34.00  95.00   0.50    2.00    --   49.50-129.00 116.00  122
  7  ω    -81.00 -47.00   0.50    8.00    --  -90.00 140.00   2.00   68
  8  ω    -76.00 -51.00   0.50    8.00    --  -90.00 129.00-170.00   50
  9  ω   -161.00-136.00   0.50    8.00    --  -90.00-140.00 -56.00   50
 10  ω   -139.00-114.00   0.50    8.00    --  -90.00-129.00 116.00   50
 11  ω     98.00 128.00   0.50    8.00    --  104.61-140.00 -56.00   60
 12  ω    109.00 134.00   0.50    8.00    --  104.61 129.00-170.00   50
 13  ω    104.00 140.00   0.50    8.00    --  104.61 140.00   2.00   72
 14  ω     42.00 107.00   0.50    8.00    --  104.61-129.00 116.00  130
 15  ω    -90.00 -42.00   0.50    2.00    --  -49.50 -37.00 150.00   96
 16  ω    -80.00 -37.00   0.50    2.00    --  -49.50 -57.00 150.00   86
 17  ω   -121.00 -96.00   0.50    2.00    --  -49.50 -57.00  90.00   50
 18  ω    -84.00 -38.00   0.50    2.00    --  -49.50 -57.00  90.00   92
 19  ω    -63.00 -37.00   0.50    2.00    --  -49.50 -57.00-180.00   52
 20  ω   -108.00 -37.00   0.50    2.00    --  -49.50 -57.00  30.00  142
 21  ω   -111.00 -39.00   0.50    2.00    --  -49.50 -57.00-150.00  144
 22  ω    -84.00 -37.00   0.50    2.00    --  -49.50 -57.00 -30.00   94
 23  ω   -115.00 -89.00   0.50    2.00    --  -49.50 -57.00 150.00   52
 24  ω    -65.00 -40.00   0.50    2.00    --  -49.50 -46.00  85.31   50
 25  ω   -120.00 -94.00   0.50    2.00    --  -49.50 -57.00  60.00   52
 26  ω    -79.00 -37.00   0.50    2.00    --  -49.50 -57.00  60.00   84
 27  ω    -86.00 -37.00   0.50    2.00    --  -49.50 -57.00-120.00   98
 28  ω    -96.00 -43.00   0.50    2.00    --  -49.50 -37.00 -90.00  106
 29  ω     37.00  72.00   0.50    2.00    --   49.50  57.00  90.00   70
 30  ω     37.00  77.00   0.50    2.00    --   49.50  57.00 -30.00   80
 31  ω     37.00  75.00   0.50    2.00    --   49.50  57.00  60.00   76
 32  ω     38.00  64.00   0.50    2.00    --   49.50  57.00 -60.00   52
 33  ω     37.00  74.00   0.50    2.00    --   49.50  57.00   0.00   74
 34  ω     37.00  66.00   0.50    2.00    --   49.50  57.00 -90.00   58
 35  ω     44.00  71.00   0.50    2.00    --   49.50  37.00 -30.00   54
 36  ω     43.00  87.00   0.50    2.00    --   49.50  19.00 -30.00   88
 37  ω     37.00  62.00   0.50    2.00    --   49.50  57.00-180.00   50
 38  ω   -101.00 -74.00   0.50    8.00    --  -90.00 -64.00-136.45   54
 39  ω   -109.00 -74.00   0.50    8.00    --  -90.00 -65.00-162.19   70
 40  ω   -161.00 -75.00   0.50    8.00    --  -90.00 -62.00-125.81  172
 41  ω   -103.00 -77.00   0.50    8.00    --  -90.00 -57.00 150.00   52
 42  ω   -159.00-117.00   0.50    8.00    --  -90.00 -64.00-136.45   84
 43  ω   -161.00 -75.00   0.50    8.00    --  -90.00 -62.00  81.17  172
 44  ω   -102.00 -76.00   0.50    8.00    --  -90.00 -63.00 -51.24   52
 45  ω    -99.00 -74.00   0.50    8.00    --  -90.00 -66.00  15.09   50
 46  ω   -115.00 -75.00   0.50    8.00    --  -90.00 -62.00  86.76   80
 47  ω   -157.00 -78.00   0.50    8.00    --  -90.00 -55.00 -48.90  158
 48  ω   -132.00 -74.00   0.50    8.00    --  -90.00 -64.00  -8.16  116
 49  ω   -107.00 -76.00   0.50    8.00    --  -90.00 -62.00   2.47   62
 50  ω   -100.00 -74.00   0.50    8.00    --  -90.00 -64.00 133.99   52
 51  ω   -108.00 -78.00   0.50    8.00    --  -90.00 -61.00-100.27   60
 52  ω   -161.00-121.00   0.50    8.00    --  -90.00 -66.00  15.09   80
 53  ω   -100.00 -74.00   0.50    8.00    --  -90.00 -66.00  48.56   52
 54  ω   -100.00 -74.00   0.50    8.00    --  -90.00 -66.00-103.84   52
 55  ω   -119.00 -76.00   0.50    8.00    --  -90.00 -59.00 -32.59   86
 56  ω   -154.00-125.00   0.50    8.00    --  -90.00 -59.00 -32.59   58
 57  ω   -161.00-116.00   0.50    8.00    --  -90.00 -63.00 169.97   90
 58  ω   -160.00 -75.00   0.50    8.00    --  -90.00 -63.00 -84.75  170
 59  ω   -108.00 -77.00   0.50    8.00    --  -90.00 -59.00 101.51   62
 60  ω   -121.00 -76.00   0.50    8.00    --  -90.00 -59.00-159.67   90
 61  ω   -161.00 -74.00   0.50    8.00    --  -90.00 -66.00  58.62  174
 62  ω   -161.00-129.00   0.50    8.00    --  -90.00 -66.00  48.56   64
 63  ω   -149.00-119.00   0.50    8.00    --  -90.00 -64.00 116.07   60
 64  ω   -111.00 -75.00   0.50    8.00    --  -90.00 -64.00 116.07   72
 65  ω   -157.00-116.00   0.50    8.00    --  -90.00 -66.00-165.83   82
 66  ω   -109.00 -74.00   0.50    8.00    --  -90.00 -66.00-165.83   70
 67  ω   -103.00 -78.00   0.50    8.00    --  -90.00 -55.00 136.45   50
 68  ω   -126.00 -74.00   0.50    8.00    --  -90.00 -65.00  68.69  104
 69  ω   -161.00 -76.00   0.50    8.00    --  -90.00 -62.00 -67.05  170
 70  ω   -101.00 -75.00   0.50    8.00    --  -90.00 -62.00 123.51   52
 71  ω   -160.00-131.00   0.50    8.00    --  -90.00 -57.00 150.00   58
 72  ω   -149.00-123.00   0.50    8.00    --  -90.00 -62.00 123.51   52
 73  ω   -153.00-112.00   0.50    8.00    --  -90.00 -59.00 101.51   82
 74  ω   -161.00-134.00   0.50    8.00    --  -90.00 -66.00  39.63   54
 75  ω   -119.00 -74.00   0.50    8.00    --  -90.00 -66.00  39.63   90
 76  ω   -107.00 -75.00   0.50    8.00    --  -90.00 -63.00 169.97   64
 77  ω     33.00 105.00   0.50    8.00    --  104.61 -99.00-150.00  144
 78  ω     66.00 110.00   0.50    8.00    --  104.61 -99.00   0.00   88
 79  ω     33.00  60.00   0.50    8.00    --  104.61 -99.00   0.00   54
 80  ω     33.00  63.00   0.50    8.00    --  104.61 -57.00 -90.00   60
 81  ω     34.00  66.00   0.50    8.00    --  104.61 -57.00   0.00   64
 82  ω     73.00 105.00   0.50    8.00    --  104.61 -77.00 -90.00   64
 83  ω     67.00 106.00   0.50    8.00    --  104.61 -99.00 -90.00   78
 84  ω     33.00  66.00   0.50    8.00    --  104.61 -57.00  60.00   66
 85  ω     68.00 105.00   0.50    8.00    --  104.61 -99.00 120.00   74
 86  ω     36.00  62.00   0.50    8.00    --  104.61 -99.00 120.00   52
 87  ω     33.00  68.00   0.50    8.00    --  104.61 -77.00 -90.00   70
 88  ω     35.00  65.00   0.50    8.00    --  104.61 -57.00 -30.00   60
 89  ω     65.00 104.00   0.50    8.00    --  104.61 -77.00 120.00   78
 90  ω     33.00  61.00   0.50    8.00    --  104.61 -77.00 120.00   56
 91  ω     33.00  63.00   0.50    8.00    --  104.61 -57.00 120.00   60
;
_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      -0.0517163000
_diffrn_orient_matrix_UB_12      -0.0292317000
_diffrn_orient_matrix_UB_13      0.0745670000
_diffrn_orient_matrix_UB_21      -0.1694616000
_diffrn_orient_matrix_UB_22      -0.1092530000
_diffrn_orient_matrix_UB_23      -0.0367235000
_diffrn_orient_matrix_UB_31      0.0409466000
_diffrn_orient_matrix_UB_32      -0.1274762000
_diffrn_orient_matrix_UB_33      0.0027938000
_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  0.0365
_diffrn_reflns_av_unetI/netI     0.0158
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            45508
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.780
_diffrn_reflns_theta_min         2.385
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    6.187
_exptl_absorpt_correction_T_max  0.906
_exptl_absorpt_correction_T_min  0.353
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.44.117a (Rigaku Oxford Diffraction, 2025)
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            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_description       plate
_exptl_crystal_F_000             726
_exptl_crystal_size_max          0.319
_exptl_crystal_size_mid          0.138
_exptl_crystal_size_min          0.118
_refine_diff_density_max         0.301
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6496
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0270
_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)+(0.0424P)²+0.8448P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0738
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6309
_reflns_number_total             6496
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00469e2.cif
_cod_data_source_block           ksk527-gg
_cod_database_code               7720355
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C34 H32 B Cl3 Mo N2 P'
_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.
;
_diffrn_oxdiff_digest_hkl
;
43cfcabcbe7add7fe20f8d0e3785bfc27b71ee
;
_diffrn_oxdiff_digest_od_ed
;

;
_diffrn_oxdiff_measurement_exp_name KSK527.par
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C13(H13a,H13b), C16(H16a,H16b), C14(H14a,H14b), C15(H15a,H15b)
2.c Aromatic/amide H refined with riding coordinates:
 C22(H22), C26(H26), C36(H36), C46(H46), C23(H23), C32(H32), C25(H25),
 C42(H42), C35(H35), C8(H8), C24(H24), C2(H2), C44(H44), C9(H9), C11(H11),
 C34(H34), C33(H33), C10(H10), C5(H5), C43(H43), C45(H45), C3(H3), C4(H4)
;
_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 1.746
_oxdiff_exptl_absorpt_empirical_full_min 0.688
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
Mo1 Mo 0.56398(2) 0.16416(2) 0.25618(2) 0.03672(6) Uani 1 1 d . . . . .
P1 P 0.53756(5) 0.30757(5) 0.36233(2) 0.03329(10) Uani 1 1 d . . . . .
Cl1 Cl 0.36110(8) -0.04742(6) 0.29232(3) 0.05798(14) Uani 1 1 d . . . . .
Cl2 Cl 0.83650(6) 0.32572(8) 0.28758(3) 0.06430(16) Uani 1 1 d . . . . .
Cl3 Cl 0.62498(9) 0.00503(8) 0.18706(3) 0.06703(17) Uani 1 1 d . . . . .
N2 N 0.48141(18) 0.23192(17) 0.19477(8) 0.0362(3) Uani 1 1 d . . . . .
C41 C 0.6583(2) 0.3101(2) 0.44559(10) 0.0373(4) Uani 1 1 d . . . . .
N1 N 0.2217(2) 0.1112(2) 0.10970(10) 0.0486(4) Uani 1 1 d . . . . .
C7 C 0.3216(2) 0.3695(2) 0.15063(9) 0.0375(4) Uani 1 1 d . . . . .
C21 C 0.3376(2) 0.2313(2) 0.38165(10) 0.0354(4) Uani 1 1 d . . . . .
C31 C 0.5921(2) 0.5004(2) 0.35089(10) 0.0400(4) Uani 1 1 d . . . . .
C12 C 0.4900(2) 0.3086(2) 0.06376(10) 0.0428(4) Uani 1 1 d . . . . .
H12 H 0.429543 0.334061 0.024570 0.051 Uiso 1 1 calc R U . . .
C22 C 0.3052(2) 0.2195(2) 0.45171(11) 0.0427(4) Uani 1 1 d . . . . .
H22 H 0.387841 0.244454 0.491230 0.051 Uiso 1 1 calc R U . . .
C1 C 0.0989(3) 0.1380(3) 0.11523(12) 0.0511(5) Uani 1 1 d . . . . .
C6 C 0.1575(3) 0.2938(3) 0.13883(11) 0.0491(5) Uani 1 1 d . . . . .
C26 C 0.2147(2) 0.1921(2) 0.32427(11) 0.0460(5) Uani 1 1 d . . . . .
H26 H 0.235688 0.197468 0.276147 0.055 Uiso 1 1 calc R U . . .
C36 C 0.4962(3) 0.5590(2) 0.36719(12) 0.0473(5) Uani 1 1 d . . . . .
H36 H 0.402049 0.498853 0.385454 0.057 Uiso 1 1 calc R U . . .
C46 C 0.7548(3) 0.4391(3) 0.49080(12) 0.0492(5) Uani 1 1 d . . . . .
H46 H 0.759853 0.529910 0.478480 0.059 Uiso 1 1 calc R U . . .
C23 C 0.1516(3) 0.1713(2) 0.46390(13) 0.0518(5) Uani 1 1 d . . . . .
H23 H 0.129260 0.162581 0.511797 0.062 Uiso 1 1 calc R U . . .
C32 C 0.7300(3) 0.5904(3) 0.32465(15) 0.0595(6) Uani 1 1 d . . . . .
H32 H 0.797481 0.552324 0.313290 0.071 Uiso 1 1 calc R U . . .
C25 C 0.0627(3) 0.1454(3) 0.33680(14) 0.0541(5) Uani 1 1 d . . . . .
H25 H -0.020563 0.119859 0.297471 0.065 Uiso 1 1 calc R U . . .
C13 C 0.6547(3) 0.4439(3) 0.08418(13) 0.0577(6) Uani 1 1 d . . . . .
H13A H 0.647107 0.536394 0.087101 0.069 Uiso 1 1 calc R U . . .
H13B H 0.708414 0.436721 0.131279 0.069 Uiso 1 1 calc R U . . .
C16 C 0.5270(3) 0.1933(3) 0.02976(13) 0.0563(6) Uani 1 1 d . . . . .
H16A H 0.544075 0.133936 0.066984 0.068 Uiso 1 1 calc R U . . .
H16B H 0.438221 0.125657 -0.008022 0.068 Uiso 1 1 calc R U . . .
C42 C 0.6525(3) 0.1774(2) 0.46405(12) 0.0500(5) Uani 1 1 d . . . . .
H42 H 0.587296 0.088336 0.433303 0.060 Uiso 1 1 calc R U . . .
C35 C 0.5368(3) 0.7052(3) 0.35702(13) 0.0581(6) Uani 1 1 d . . . . .
H35 H 0.470214 0.744361 0.368186 0.070 Uiso 1 1 calc R U . . .
C8 C 0.3974(3) 0.5172(3) 0.17478(12) 0.0533(5) Uani 1 1 d . . . . .
H8 H 0.509437 0.571318 0.183189 0.064 Uiso 1 1 calc R U . . .
C24 C 0.0319(3) 0.1361(3) 0.40693(15) 0.0565(6) Uani 1 1 d . . . . .
H24 H -0.072483 0.105112 0.415672 0.068 Uiso 1 1 calc R U . . .
C2 C -0.0568(3) 0.0215(4) 0.10106(16) 0.0745(8) Uani 1 1 d . . . . .
H2 H -0.143559 0.039136 0.103661 0.089 Uiso 1 1 calc R U . . .
C44 C 0.8371(3) 0.3049(3) 0.57214(13) 0.0609(6) Uani 1 1 d . . . . .
H44 H 0.897818 0.303014 0.615659 0.073 Uiso 1 1 calc R U . . .
B1 B 0.3884(3) 0.2603(2) 0.12858(12) 0.0377(4) Uani 1 1 d . . . . .
C9 C 0.3080(4) 0.5880(3) 0.18698(14) 0.0704(8) Uani 1 1 d . . . . .
H9 H 0.359917 0.690291 0.203681 0.084 Uiso 1 1 calc R U . . .
C14 C 0.7440(3) 0.4403(3) 0.02352(15) 0.0662(7) Uani 1 1 d . . . . .
H14A H 0.727970 0.495764 -0.015973 0.079 Uiso 1 1 calc R U . . .
H14B H 0.858518 0.484713 0.041899 0.079 Uiso 1 1 calc R U . . .
C11 C 0.0680(4) 0.3626(4) 0.15080(15) 0.0685(7) Uani 1 1 d . . . . .
H11 H -0.044026 0.308850 0.142495 0.082 Uiso 1 1 calc R U . . .
C34 C 0.6724(3) 0.7924(3) 0.33101(15) 0.0648(7) Uani 1 1 d . . . . .
H34 H 0.699723 0.892118 0.323953 0.078 Uiso 1 1 calc R U . . .
C33 C 0.7687(3) 0.7365(3) 0.31511(18) 0.0730(8) Uani 1 1 d . . . . .
H33 H 0.863141 0.797987 0.297353 0.088 Uiso 1 1 calc R U . . .
C10 C 0.1459(4) 0.5099(4) 0.17488(16) 0.0778(9) Uani 1 1 d . . . . .
H10 H 0.086991 0.559144 0.183395 0.093 Uiso 1 1 calc R U . . .
C5 C 0.1947(3) -0.0291(3) 0.09353(15) 0.0615(6) Uani 1 1 d . . . . .
H5 H 0.281484 -0.047155 0.091642 0.074 Uiso 1 1 calc R U . . .
C15 C 0.6764(4) 0.2781(3) -0.00314(17) 0.0755(8) Uani 1 1 d . . . . .
H15A H 0.753555 0.243076 0.012326 0.091 Uiso 1 1 calc R U . . .
H15B H 0.650950 0.263314 -0.056500 0.091 Uiso 1 1 calc R U . . .
C43 C 0.7424(3) 0.1762(3) 0.52740(14) 0.0596(6) Uani 1 1 d . . . . .
H43 H 0.738626 0.086037 0.540038 0.072 Uiso 1 1 calc R U . . .
C45 C 0.8441(3) 0.4360(3) 0.55406(14) 0.0622(6) Uani 1 1 d . . . . .
H45 H 0.910226 0.524610 0.584916 0.075 Uiso 1 1 calc R U . . .
C3 C -0.0804(4) -0.1196(4) 0.08325(19) 0.0867(10) Uani 1 1 d . . . . .
H3 H -0.184848 -0.199860 0.073202 0.104 Uiso 1 1 calc R U . . .
C4 C 0.0441(4) -0.1451(3) 0.07990(19) 0.0810(9) Uani 1 1 d . . . . .
H4 H 0.026624 -0.242606 0.068186 0.097 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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 '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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 7 0 0.1568
-5 0 -1 0.0791
0 -6 0 0.1120
1 0 -12 0.0378
-2 1 12 0.0750
3 -6 6 0.1335
3 -3 -10 0.0981
-1 3 -11 0.0828
-4 6 5 0.1737
-3 -3 -1 0.0876
6 -6 1 0.1406
-6 2 -1 0.0887
5 0 1 0.0591
2 -4 10 0.1067
6 -3 1 0.1013
3 3 1 0.1064
-4 2 10 0.0987
-1 -3 10 0.0837
-3 -1 11 0.0862
-6 2 5 0.0947
-4 -2 6 0.0871
-4 1 -6 0.0771
-2 -3 -6 0.0816
0 -5 -5 0.1048
3 2 7 0.0976
0 5 5 0.1398
-3 -2 -7 0.0758
1 -3 -10 0.0871
2 -1 11 0.0978
-1 5 -7 0.1359
5 -3 -7 0.1000
2 4 3 0.1175
1 3 8 0.1043
4 -2 8 0.0969
2 -3 10 0.0954
-5 0 2 0.0830
-5 -1 2 0.0811
1 1 11 0.0907
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
Cl1 Mo1 P1 86.298(18) . . ?
Cl1 Mo1 Cl2 140.86(2) . . ?
Cl1 Mo1 Cl3 88.31(2) . . ?
Cl2 Mo1 P1 85.065(19) . . ?
Cl2 Mo1 Cl3 88.42(3) . . ?
Cl3 Mo1 P1 162.10(2) . . ?
N2 Mo1 P1 93.27(5) . . ?
N2 Mo1 Cl1 107.95(6) . . ?
N2 Mo1 Cl2 110.60(6) . . ?
N2 Mo1 Cl3 104.64(5) . . ?
C41 P1 Mo1 111.69(6) . . ?
C41 P1 C31 106.26(9) . . ?
C21 P1 Mo1 113.72(6) . . ?
C21 P1 C41 105.81(9) . . ?
C21 P1 C31 103.37(9) . . ?
C31 P1 Mo1 115.14(7) . . ?
B1 N2 Mo1 167.36(13) . . ?
C46 C41 P1 121.98(16) . . ?
C46 C41 C42 119.43(19) . . ?
C42 C41 P1 118.59(16) . . ?
C1 N1 B1 111.38(18) . . ?
C5 N1 C1 120.2(2) . . ?
C5 N1 B1 128.3(2) . . ?
C6 C7 B1 109.87(18) . . ?
C8 C7 C6 118.7(2) . . ?
C8 C7 B1 131.35(19) . . ?
C22 C21 P1 122.14(15) . . ?
C22 C21 C26 119.34(18) . . ?
C26 C21 P1 118.40(15) . . ?
C36 C31 P1 120.74(16) . . ?
C36 C31 C32 118.9(2) . . ?
C32 C31 P1 120.32(17) . . ?
C13 C12 H12 107.4 . . ?
C13 C12 B1 114.77(17) . . ?
C16 C12 H12 107.4 . . ?
C16 C12 C13 102.41(19) . . ?
C16 C12 B1 116.82(17) . . ?
B1 C12 H12 107.4 . . ?
C21 C22 H22 120.1 . . ?
C21 C22 C23 119.9(2) . . ?
C23 C22 H22 120.1 . . ?
N1 C1 C6 110.24(19) . . ?
N1 C1 C2 120.1(2) . . ?
C2 C1 C6 129.7(2) . . ?
C7 C6 C1 110.70(19) . . ?
C11 C6 C7 122.3(2) . . ?
C11 C6 C1 127.0(2) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 C21 120.5(2) . . ?
C25 C26 H26 119.8 . . ?
C31 C36 H36 119.7 . . ?
C31 C36 C35 120.5(2) . . ?
C35 C36 H36 119.7 . . ?
C41 C46 H46 119.9 . . ?
C41 C46 C45 120.1(2) . . ?
C45 C46 H46 119.9 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.2(2) . . ?
C24 C23 H23 119.9 . . ?
C31 C32 H32 120.2 . . ?
C31 C32 C33 119.6(3) . . ?
C33 C32 H32 120.2 . . ?
C26 C25 H25 120.1 . . ?
C26 C25 C24 119.7(2) . . ?
C24 C25 H25 120.1 . . ?
C12 C13 H13A 110.8 . . ?
C12 C13 H13B 110.8 . . ?
H13A C13 H13B 108.8 . . ?
C14 C13 C12 104.91(19) . . ?
C14 C13 H13A 110.8 . . ?
C14 C13 H13B 110.8 . . ?
C12 C16 H16A 110.3 . . ?
C12 C16 H16B 110.3 . . ?
H16A C16 H16B 108.6 . . ?
C15 C16 C12 107.1(2) . . ?
C15 C16 H16A 110.3 . . ?
C15 C16 H16B 110.3 . . ?
C41 C42 H42 120.2 . . ?
C43 C42 C41 119.7(2) . . ?
C43 C42 H42 120.2 . . ?
C36 C35 H35 120.0 . . ?
C34 C35 C36 120.1(2) . . ?
C34 C35 H35 120.0 . . ?
C7 C8 H8 120.3 . . ?
C7 C8 C9 119.5(3) . . ?
C9 C8 H8 120.3 . . ?
C23 C24 C25 120.3(2) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C1 C2 H2 120.9 . . ?
C3 C2 C1 118.3(3) . . ?
C3 C2 H2 120.9 . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C45 C44 C43 120.2(2) . . ?
N2 B1 N1 105.49(15) . . ?
N2 B1 C7 112.29(16) . . ?
N2 B1 C12 110.69(16) . . ?
N1 B1 C12 115.22(16) . . ?
C7 B1 N1 97.60(16) . . ?
C7 B1 C12 114.67(16) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.4(3) . . ?
C10 C9 H9 119.8 . . ?
C13 C14 H14A 110.6 . . ?
C13 C14 H14B 110.6 . . ?
H14A C14 H14B 108.7 . . ?
C15 C14 C13 105.8(2) . . ?
C15 C14 H14A 110.6 . . ?
C15 C14 H14B 110.6 . . ?
C6 C11 H11 121.0 . . ?
C10 C11 C6 118.1(3) . . ?
C10 C11 H11 121.0 . . ?
C35 C34 H34 120.0 . . ?
C35 C34 C33 120.1(2) . . ?
C33 C34 H34 120.0 . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.8(3) . . ?
C34 C33 H33 119.6 . . ?
C9 C10 H10 119.5 . . ?
C11 C10 C9 121.1(3) . . ?
C11 C10 H10 119.5 . . ?
N1 C5 H5 119.5 . . ?
N1 C5 C4 120.9(3) . . ?
C4 C5 H5 119.5 . . ?
C16 C15 H15A 110.4 . . ?
C16 C15 H15B 110.4 . . ?
C14 C15 C16 106.8(2) . . ?
C14 C15 H15A 110.4 . . ?
C14 C15 H15B 110.4 . . ?
H15A C15 H15B 108.6 . . ?
C42 C43 H43 119.8 . . ?
C44 C43 C42 120.4(2) . . ?
C44 C43 H43 119.8 . . ?
C46 C45 H45 119.9 . . ?
C44 C45 C46 120.1(2) . . ?
C44 C45 H45 119.9 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.9(3) . . ?
C4 C3 H3 119.6 . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
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
Mo1 P1 2.5569(5) . ?
Mo1 Cl1 2.3456(6) . ?
Mo1 Cl2 2.3523(6) . ?
Mo1 Cl3 2.3897(5) . ?
Mo1 N2 1.6716(15) . ?
P1 C41 1.8205(19) . ?
P1 C21 1.8162(19) . ?
P1 C31 1.826(2) . ?
N2 B1 1.558(3) . ?
C41 C46 1.386(3) . ?
C41 C42 1.397(3) . ?
N1 C1 1.362(3) . ?
N1 B1 1.610(3) . ?
N1 C5 1.358(3) . ?
C7 C6 1.390(3) . ?
C7 C8 1.372(3) . ?
C7 B1 1.608(3) . ?
C21 C22 1.389(3) . ?
C21 C26 1.392(3) . ?
C31 C36 1.385(3) . ?
C31 C32 1.390(3) . ?
C12 H12 1.0000 . ?
C12 C13 1.538(3) . ?
C12 C16 1.537(3) . ?
C12 B1 1.611(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(3) . ?
C1 C6 1.459(3) . ?
C1 C2 1.404(3) . ?
C6 C11 1.389(3) . ?
C26 H26 0.9500 . ?
C26 C25 1.380(3) . ?
C36 H36 0.9500 . ?
C36 C35 1.392(3) . ?
C46 H46 0.9500 . ?
C46 C45 1.388(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.392(4) . ?
C25 H25 0.9500 . ?
C25 C24 1.385(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.530(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C15 1.527(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.385(3) . ?
C35 H35 0.9500 . ?
C35 C34 1.366(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.406(4) . ?
C24 H24 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.383(5) . ?
C44 H44 0.9500 . ?
C44 C43 1.377(4) . ?
C44 C45 1.374(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.374(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.518(4) . ?
C11 H11 0.9500 . ?
C11 C10 1.367(5) . ?
C34 H34 0.9500 . ?
C34 C33 1.367(4) . ?
C33 H33 0.9500 . ?
C10 H10 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.370(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C43 H43 0.9500 . ?
C45 H45 0.9500 . ?
C3 H3 0.9500 . ?
C3 C4 1.363(5) . ?
C4 H4 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
Mo1 P1 C41 C46 132.78(16) . . . . ?
Mo1 P1 C41 C42 -47.27(17) . . . . ?
Mo1 P1 C21 C22 138.05(15) . . . . ?
Mo1 P1 C21 C26 -45.95(17) . . . . ?
Mo1 P1 C31 C36 133.44(15) . . . . ?
Mo1 P1 C31 C32 -45.7(2) . . . . ?
Mo1 N2 B1 N1 39.8(7) . . . . ?
Mo1 N2 B1 C7 145.0(6) . . . . ?
Mo1 N2 B1 C12 -85.5(6) . . . . ?
P1 Mo1 N2 B1 -143.6(6) . . . . ?
P1 C41 C46 C45 179.55(18) . . . . ?
P1 C41 C42 C43 -179.53(18) . . . . ?
P1 C21 C22 C23 174.94(16) . . . . ?
P1 C21 C26 C25 -174.53(18) . . . . ?
P1 C31 C36 C35 -178.73(17) . . . . ?
P1 C31 C32 C33 179.0(2) . . . . ?
Cl1 Mo1 N2 B1 -56.4(6) . . . . ?
Cl2 Mo1 N2 B1 130.5(6) . . . . ?
Cl3 Mo1 N2 B1 36.6(6) . . . . ?
C41 P1 C21 C22 15.09(18) . . . . ?
C41 P1 C21 C26 -168.91(16) . . . . ?
C41 P1 C31 C36 -102.35(17) . . . . ?
C41 P1 C31 C32 78.5(2) . . . . ?
C41 C46 C45 C44 0.0(4) . . . . ?
C41 C42 C43 C44 0.0(4) . . . . ?
N1 C1 C6 C7 -1.5(2) . . . . ?
N1 C1 C6 C11 -179.7(2) . . . . ?
N1 C1 C2 C3 1.4(4) . . . . ?
N1 C5 C4 C3 -0.6(5) . . . . ?
C7 C6 C11 C10 0.1(4) . . . . ?
C7 C8 C9 C10 0.0(4) . . . . ?
C21 P1 C41 C46 -102.98(18) . . . . ?
C21 P1 C41 C42 76.96(18) . . . . ?
C21 P1 C31 C36 8.81(19) . . . . ?
C21 P1 C31 C32 -170.31(18) . . . . ?
C21 C22 C23 C24 -0.4(3) . . . . ?
C21 C26 C25 C24 -0.7(4) . . . . ?
C31 P1 C41 C46 6.5(2) . . . . ?
C31 P1 C41 C42 -173.59(17) . . . . ?
C31 P1 C21 C22 -96.41(17) . . . . ?
C31 P1 C21 C26 79.60(17) . . . . ?
C31 C36 C35 C34 -0.2(3) . . . . ?
C31 C32 C33 C34 -0.2(4) . . . . ?
C12 C13 C14 C15 -30.5(3) . . . . ?
C12 C16 C15 C14 10.6(3) . . . . ?
C22 C21 C26 C25 1.6(3) . . . . ?
C22 C23 C24 C25 1.3(4) . . . . ?
C1 N1 B1 N2 119.40(18) . . . . ?
C1 N1 B1 C7 3.7(2) . . . . ?
C1 N1 B1 C12 -118.2(2) . . . . ?
C1 N1 C5 C4 2.4(4) . . . . ?
C1 C6 C11 C10 178.2(2) . . . . ?
C1 C2 C3 C4 0.4(5) . . . . ?
C6 C7 C8 C9 0.1(3) . . . . ?
C6 C7 B1 N2 -114.72(18) . . . . ?
C6 C7 B1 N1 -4.49(19) . . . . ?
C6 C7 B1 C12 117.81(19) . . . . ?
C6 C1 C2 C3 -176.2(3) . . . . ?
C6 C11 C10 C9 0.0(4) . . . . ?
C26 C21 C22 C23 -1.0(3) . . . . ?
C26 C25 C24 C23 -0.8(4) . . . . ?
C36 C31 C32 C33 -0.2(4) . . . . ?
C36 C35 C34 C33 -0.2(4) . . . . ?
C46 C41 C42 C43 0.4(3) . . . . ?
C32 C31 C36 C35 0.4(3) . . . . ?
C13 C12 C16 C15 -28.8(3) . . . . ?
C13 C12 B1 N2 -55.7(2) . . . . ?
C13 C12 B1 N1 -175.24(19) . . . . ?
C13 C12 B1 C7 72.6(2) . . . . ?
C13 C14 C15 C16 12.2(3) . . . . ?
C16 C12 C13 C14 36.2(2) . . . . ?
C16 C12 B1 N2 64.2(2) . . . . ?
C16 C12 B1 N1 -55.3(2) . . . . ?
C16 C12 B1 C7 -167.50(18) . . . . ?
C42 C41 C46 C45 -0.4(3) . . . . ?
C35 C34 C33 C32 0.4(4) . . . . ?
C8 C7 C6 C1 -178.51(18) . . . . ?
C8 C7 C6 C11 -0.1(3) . . . . ?
C8 C7 B1 N2 68.2(3) . . . . ?
C8 C7 B1 N1 178.4(2) . . . . ?
C8 C7 B1 C12 -59.3(3) . . . . ?
C8 C9 C10 C11 0.0(4) . . . . ?
C2 C1 C6 C7 176.4(2) . . . . ?
C2 C1 C6 C11 -1.9(4) . . . . ?
C2 C3 C4 C5 -0.8(5) . . . . ?
B1 N1 C1 C6 -1.7(2) . . . . ?
B1 N1 C1 C2 -179.8(2) . . . . ?
B1 N1 C5 C4 178.8(2) . . . . ?
B1 C7 C6 C1 4.0(2) . . . . ?
B1 C7 C6 C11 -177.6(2) . . . . ?
B1 C7 C8 C9 176.9(2) . . . . ?
B1 C12 C13 C14 163.8(2) . . . . ?
B1 C12 C16 C15 -155.1(2) . . . . ?
C5 N1 C1 C6 175.2(2) . . . . ?
C5 N1 C1 C2 -2.8(3) . . . . ?
C5 N1 B1 N2 -57.3(3) . . . . ?
C5 N1 B1 C7 -173.0(2) . . . . ?
C5 N1 B1 C12 65.1(3) . . . . ?
C43 C44 C45 C46 0.5(4) . . . . ?
C45 C44 C43 C42 -0.4(4) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1.6964 6.5142 -0.0249 -0.1045 -0.4233 -0.8999
-5.3961 -0.0869 -0.7186 0.2280 0.9503 -0.2119
0.1452 -5.9319 -0.1631 0.1537 0.6295 0.7617
1.2227 0.0531 -12.1693 -0.9722 0.2339 0.0093
-1.6326 0.6028 12.0644 0.9664 -0.2322 -0.1100
3.1292 -5.8265 5.8916 0.4478 -0.1101 0.8873
3.2262 -3.4042 -10.0934 -0.8200 0.1959 0.5379
-0.6887 2.8689 -11.1516 -0.8798 0.2128 -0.4251
-4.2378 5.7827 5.1144 0.4315 -0.1015 -0.8964
-3.2350 -3.3182 -0.5500 0.2233 0.9309 0.2890
5.5354 -5.5154 0.5045 -0.0874 -0.3540 0.9312
-5.9718 1.5113 -0.7174 0.2112 0.8732 -0.4392
5.4071 0.0660 0.7055 -0.2290 -0.9494 0.2150
1.7472 -4.2844 9.5095 0.7440 -0.1772 0.6443
6.1985 -3.0981 0.7272 -0.1758 -0.7386 0.6508
3.1631 3.3985 0.5241 -0.2238 -0.9266 -0.3022
-4.1778 1.5204 10.1185 0.9261 0.1703 -0.3366
-1.2919 -2.9994 10.2390 0.9180 0.1706 0.3581
-2.6485 -1.1975 10.8439 0.9806 0.1814 0.0745
-5.9292 1.5850 4.8524 0.6221 0.6534 -0.4313
-4.2816 -1.8338 5.5208 0.6867 0.7232 0.0739
-4.4537 0.6665 -6.4633 -0.2711 0.9193 -0.2854
-2.0861 -3.0556 -6.2964 -0.2723 0.9186 0.2865
0.0126 -5.1114 -4.9414 -0.2197 0.7378 0.6383
2.6902 2.2931 6.5207 0.2801 -0.9459 -0.1639
0.0044 5.0980 4.9556 0.2203 -0.7397 -0.6359
-3.0558 -1.7843 -6.6104 -0.2827 0.9555 0.0839
0.6773 -3.4639 -9.6179 -0.6509 0.6169 0.4424
2.4003 -1.2042 10.5173 0.6953 -0.6614 0.2812
-0.6274 5.4964 -6.5618 -0.6175 -0.2532 -0.7447
5.4291 -3.1465 -7.3467 -0.7366 -0.3065 0.6029
2.0138 4.1760 2.6956 -0.0252 -0.8965 -0.4424
1.2905 2.9431 8.1381 0.4541 -0.8391 -0.2996
4.3634 -2.3918 7.6243 0.4128 -0.7581 0.5049
2.1512 -3.4952 10.1406 0.7471 -0.3551 0.5620
-5.4894 -0.1852 1.7930 0.4230 0.8846 -0.1962
-5.2718 -0.6257 1.8319 0.4275 0.8945 -0.1310
1.3667 0.5266 10.8762 0.7249 -0.6886 0.0192
