# Electronic Supplementary Material (ESI) for Faraday Discussions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_riv15d7
_database_code_depnum_ccdc_archive 'CCDC 1487268'
_audit_update_record             
;
2016-06-23 deposited with the CCDC.
2016-07-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C28 H32 B2 O4, C7 H8'
_chemical_formula_sum            'C35 H40 B2 O4'
_chemical_formula_weight         546.29

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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.3523(2)
_cell_length_b                   8.0207(2)
_cell_length_c                   16.3894(4)
_cell_angle_alpha                92.3795(18)
_cell_angle_beta                 95.9413(18)
_cell_angle_gamma                110.1138(17)
_cell_volume                     777.24(4)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    4771
_cell_measurement_theta_min      2.72
_cell_measurement_theta_max      72.15

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.167
_exptl_crystal_F_000             292
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.257
_exptl_crystal_size_mid          0.197
_exptl_crystal_size_min          0.028
_exptl_absorpt_coefficient_mu    0.575
_shelx_estimated_absorpt_T_min   0.866
_shelx_estimated_absorpt_T_max   0.984
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.6597
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            5411
_diffrn_reflns_av_unetI/netI     0.0721
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.720
_diffrn_reflns_theta_max         72.290
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             2953
_reflns_number_gt                2310
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2014 (Sheldrick 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0978P)²+0.2157P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2953
_refine_ls_number_parameters     206
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0605
_refine_ls_wR_factor_ref         0.1826
_refine_ls_wR_factor_gt          0.1701
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
O1 O 0.3482(2) 0.41080(17) 0.12711(9) 0.0296(4) Uani 1 1 d . . . . .
O2 O 0.6844(2) 0.64268(18) 0.13217(9) 0.0300(4) Uani 1 1 d . . . . .
C1 C 0.6536(3) 0.3535(3) 0.05177(13) 0.0302(5) Uani 1 1 d . . . . .
C2 C 0.7359(3) 0.2661(3) 0.01427(13) 0.0302(5) Uani 1 1 d . . . . .
C3 C 0.8423(4) 0.1612(3) -0.03046(13) 0.0379(5) Uani 1 1 d . . . . .
H3A H 0.9674 0.2434 -0.0564 0.045 Uiso 1 1 calc R U . . .
H3B H 0.7298 0.0838 -0.0751 0.045 Uiso 1 1 calc R U . . .
C4 C 0.9347(3) 0.0457(2) 0.02315(11) 0.0262(4) Uani 1 1 d . . . . .
H4A H 1.0352 0.1207 0.0711 0.031 Uiso 1 1 calc R U . . .
H4B H 0.8076 -0.0459 0.0441 0.031 Uiso 1 1 calc R U . . .
C5 C 0.3383(3) 0.5554(2) 0.17381(12) 0.0252(4) Uani 1 1 d . . . . .
C6 C 0.5414(3) 0.6959(2) 0.17642(12) 0.0249(4) Uani 1 1 d . . . . .
C7 C 0.5811(3) 0.8593(3) 0.21709(12) 0.0277(4) Uani 1 1 d . . . . .
H7 H 0.7214 0.9539 0.2177 0.033 Uiso 1 1 calc R U . . .
C8 C 0.4081(3) 0.8819(3) 0.25751(12) 0.0268(4) Uani 1 1 d . . . . .
C9 C 0.2040(3) 0.7371(3) 0.25462(13) 0.0305(4) Uani 1 1 d . . . . .
H9 H 0.0868 0.7520 0.2824 0.037 Uiso 1 1 calc R U . . .
C10 C 0.1666(4) 0.5728(3) 0.21286(14) 0.0316(5) Uani 1 1 d . . . . .
H10 H 0.0272 0.4769 0.2116 0.038 Uiso 1 1 calc R U . . .
C11 C 0.4386(4) 1.0591(3) 0.30493(13) 0.0318(5) Uani 1 1 d . . . . .
C12 C 0.6431(5) 1.2139(3) 0.28217(19) 0.0513(7) Uani 1 1 d . . . . .
H12A H 0.6221 1.2271 0.2230 0.077 Uiso 1 1 calc R U . . .
H12B H 0.6548 1.3248 0.3130 0.077 Uiso 1 1 calc R U . . .
H12C H 0.7818 1.1880 0.2961 0.077 Uiso 1 1 calc R U . . .
C13 C 0.4751(6) 1.0417(4) 0.39646(16) 0.0585(8) Uani 1 1 d . . . . .
H13A H 0.4946 1.1550 0.4267 0.088 Uiso 1 1 calc R U . . .
H13B H 0.3437 0.9478 0.4124 0.088 Uiso 1 1 calc R U . . .
H13C H 0.6107 1.0109 0.4095 0.088 Uiso 1 1 calc R U . . .
C14 C 0.2304(4) 1.1129(3) 0.28358(18) 0.0484(6) Uani 1 1 d . . . . .
H14A H 0.2085 1.1238 0.2242 0.073 Uiso 1 1 calc R U . . .
H14B H 0.0964 1.0217 0.2994 0.073 Uiso 1 1 calc R U . . .
H14C H 0.2536 1.2275 0.3135 0.073 Uiso 1 1 calc R U . . .
B B 0.5608(4) 0.4683(3) 0.10234(14) 0.0280(5) Uani 1 1 d . . . . .
C1S C 0.3611(8) 0.4205(6) 0.5170(3) 0.0543(15) Uani 0.5 1 d G . P A -1
C2S C 0.3677(9) 0.5033(6) 0.4440(3) 0.051(3) Uani 0.5 1 d G . P A -1
H2S H 0.2315 0.4873 0.4094 0.062 Uiso 0.5 1 calc R U P A -1
C3S C 0.5737(13) 0.6096(6) 0.4216(3) 0.070(2) Uani 0.5 1 d G . P A -1
H3S H 0.5783 0.6662 0.3717 0.084 Uiso 0.5 1 calc R U P A -1
C4S C 0.7731(9) 0.6330(6) 0.4721(4) 0.085(4) Uani 0.5 1 d G . P A -1
H4S H 0.9138 0.7056 0.4568 0.103 Uiso 0.5 1 calc R U P A -1
C5S C 0.7664(8) 0.5501(7) 0.5451(4) 0.075(3) Uani 0.5 1 d G . P A -1
H5S H 0.9027 0.5661 0.5797 0.090 Uiso 0.5 1 calc R U P A -1
C6S C 0.5604(11) 0.4439(6) 0.5676(2) 0.049(2) Uani 0.5 1 d G . P A -1
H6S H 0.5559 0.3872 0.6175 0.059 Uiso 0.5 1 calc R U P A -1
C7S C 0.1425(18) 0.3046(15) 0.5401(10) 0.108(4) Uani 0.5 1 d . . P A -1
H7SA H 0.0186 0.3199 0.5041 0.130 Uiso 0.5 1 calc R U P A -1
H7SB H 0.1315 0.3370 0.5974 0.130 Uiso 0.5 1 calc R U P A -1
H7SC H 0.1326 0.1799 0.5342 0.130 Uiso 0.5 1 calc R U P A -1


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
O1 B 1.379(3) . ?
O1 C5 1.386(2) . ?
O2 C6 1.382(2) . ?
O2 B 1.386(3) . ?
C1 C2 1.194(3) . ?
C1 B 1.514(3) . ?
C2 C3 1.464(3) . ?
C3 C4 1.520(3) . ?
C4 C4 1.518(3) 2_755 ?
C5 C10 1.364(3) . ?
C5 C6 1.386(3) . ?
C6 C7 1.375(3) . ?
C7 C8 1.399(3) . ?
C8 C9 1.407(3) . ?
C8 C11 1.533(3) . ?
C9 C10 1.391(3) . ?
C11 C13 1.514(3) . ?
C11 C14 1.538(3) . ?
C11 C12 1.548(3) . ?
C1S C2S 1.3900 . ?
C1S C6S 1.3900 . ?
C1S C7S 1.479(10) . ?
C2S C3S 1.3900 . ?
C3S C4S 1.3900 . ?
C4S C5S 1.3900 . ?
C5S C6S 1.3900 . ?

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
B O1 C5 104.98(15) . . ?
C6 O2 B 105.01(15) . . ?
C2 C1 B 177.0(2) . . ?
C1 C2 C3 178.6(2) . . ?
C2 C3 C4 113.94(17) . . ?
C4 C4 C3 112.4(2) 2_755 . ?
C10 C5 C6 120.96(18) . . ?
C10 C5 O1 129.94(18) . . ?
C6 C5 O1 109.10(16) . . ?
C7 C6 O2 128.33(17) . . ?
C7 C6 C5 122.62(17) . . ?
O2 C6 C5 109.04(16) . . ?
C6 C7 C8 117.87(18) . . ?
C7 C8 C9 118.56(18) . . ?
C7 C8 C11 121.33(18) . . ?
C9 C8 C11 120.11(17) . . ?
C10 C9 C8 122.77(18) . . ?
C5 C10 C9 117.22(19) . . ?
C13 C11 C8 109.51(18) . . ?
C13 C11 C14 110.2(2) . . ?
C8 C11 C14 110.43(18) . . ?
C13 C11 C12 108.4(2) . . ?
C8 C11 C12 112.12(17) . . ?
C14 C11 C12 106.1(2) . . ?
O1 B O2 111.87(17) . . ?
O1 B C1 124.50(19) . . ?
O2 B C1 123.58(19) . . ?
C2S C1S C6S 120.0 . . ?
C2S C1S C7S 120.1(8) . . ?
C6S C1S C7S 119.9(8) . . ?
C1S C2S C3S 120.0 . . ?
C4S C3S C2S 120.0 . . ?
C3S C4S C5S 120.0 . . ?
C6S C5S C4S 120.0 . . ?
C5S C6S C1S 120.0 . . ?

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
C2 C3 C4 C4 -173.9(2) . . . 2_755 ?
B O1 C5 C10 179.5(2) . . . . ?
B O1 C5 C6 0.1(2) . . . . ?
B O2 C6 C7 -178.5(2) . . . . ?
B O2 C6 C5 0.7(2) . . . . ?
C10 C5 C6 C7 -0.7(3) . . . . ?
O1 C5 C6 C7 178.76(17) . . . . ?
C10 C5 C6 O2 -179.99(18) . . . . ?
O1 C5 C6 O2 -0.6(2) . . . . ?
O2 C6 C7 C8 179.59(18) . . . . ?
C5 C6 C7 C8 0.4(3) . . . . ?
C6 C7 C8 C9 0.1(3) . . . . ?
C6 C7 C8 C11 179.49(18) . . . . ?
C7 C8 C9 C10 -0.4(3) . . . . ?
C11 C8 C9 C10 -179.78(19) . . . . ?
C6 C5 C10 C9 0.4(3) . . . . ?
O1 C5 C10 C9 -178.92(19) . . . . ?
C8 C9 C10 C5 0.2(3) . . . . ?
C7 C8 C11 C13 -104.5(2) . . . . ?
C9 C8 C11 C13 74.9(3) . . . . ?
C7 C8 C11 C14 134.0(2) . . . . ?
C9 C8 C11 C14 -46.7(3) . . . . ?
C7 C8 C11 C12 15.9(3) . . . . ?
C9 C8 C11 C12 -164.7(2) . . . . ?
C5 O1 B O2 0.4(2) . . . . ?
C5 O1 B C1 177.89(18) . . . . ?
C6 O2 B O1 -0.7(2) . . . . ?
C6 O2 B C1 -178.25(19) . . . . ?
C6S C1S C2S C3S 0.0 . . . . ?
C7S C1S C2S C3S -178.8(8) . . . . ?
C1S C2S C3S C4S 0.0 . . . . ?
C2S C3S C4S C5S 0.0 . . . . ?
C3S C4S C5S C6S 0.0 . . . . ?
C4S C5S C6S C1S 0.0 . . . . ?
C2S C1S C6S C5S 0.0 . . . . ?
C7S C1S C6S C5S 178.8(8) . . . . ?

_refine_diff_density_max         0.462
_refine_diff_density_min         -0.265
_refine_diff_density_rms         0.057


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_riv1675
_database_code_depnum_ccdc_archive 'CCDC 1487269'
_audit_update_record             
;
2016-06-23 deposited with the CCDC.
2016-07-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H72 B2 N4 O4 Te, 2(C4 H10 O)'
_chemical_formula_sum            'C50 H92 B2 N4 O6 Te'
_chemical_formula_weight         994.49

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'
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'
Te Te -0.1759 6.3531 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.8131(3)
_cell_length_b                   11.1794(2)
_cell_length_c                   26.4236(5)
_cell_angle_alpha                90
_cell_angle_beta                 93.0441(6)
_cell_angle_gamma                90
_cell_volume                     5549.55(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9429
_cell_measurement_theta_min      4.60
_cell_measurement_theta_max      73.76

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_F_000             2120
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.157
_exptl_absorpt_coefficient_mu    4.588
_shelx_estimated_absorpt_T_min   0.354
_shelx_estimated_absorpt_T_max   0.533
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.3735
_exptl_absorpt_correction_T_max  0.7017
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19362
_diffrn_reflns_av_unetI/netI     0.0111
_diffrn_reflns_av_R_equivalents  0.0136
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.350
_diffrn_reflns_theta_max         74.045
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5624
_reflns_number_gt                5586
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0290P)²+4.8857P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5624
_refine_ls_number_parameters     295
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0212
_refine_ls_wR_factor_ref         0.0560
_refine_ls_wR_factor_gt          0.0559
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.089
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

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
Te Te 0.5000 0.41734(2) 0.7500 0.02260(5) Uani 1 2 d S T P . .
O1 O 0.37556(5) 0.44178(9) 0.66671(4) 0.0233(2) Uani 1 1 d . . . . .
O2 O 0.42325(5) 0.30882(9) 0.60896(4) 0.0260(2) Uani 1 1 d . . . . .
N1 N 0.27373(6) 0.24089(11) 0.69702(5) 0.0256(2) Uani 1 1 d . . . . .
N2 N 0.29710(6) 0.14441(11) 0.62918(4) 0.0248(2) Uani 1 1 d . . . . .
C1 C 0.45278(7) 0.27981(12) 0.70736(5) 0.0209(3) Uani 1 1 d . . . . .
C2 C 0.47567(7) 0.17313(12) 0.72749(5) 0.0216(3) Uani 1 1 d . . . . .
C3 C 0.45031(8) 0.05583(14) 0.70391(6) 0.0293(3) Uani 1 1 d . . . . .
H3A H 0.4511 0.0626 0.6666 0.035 Uiso 1 1 calc R U . . .
H3B H 0.4004 0.0420 0.7124 0.035 Uiso 1 1 calc R U . . .
C4 C 0.49497(11) -0.05205(15) 0.72129(7) 0.0420(4) Uani 1 1 d . . . . .
H4A H 0.4708 -0.1267 0.7098 0.050 Uiso 1 1 calc R U . . .
H4B H 0.5419 -0.0487 0.7061 0.050 Uiso 1 1 calc R U . . .
C5 C 0.36966(8) 0.49607(14) 0.61779(6) 0.0295(3) Uani 1 1 d . . . . .
C6 C 0.42645(8) 0.42695(14) 0.58852(6) 0.0292(3) Uani 1 1 d . . . . .
C7 C 0.29377(9) 0.47786(19) 0.59489(7) 0.0420(4) Uani 1 1 d . . . . .
H7A H 0.2881 0.5212 0.5627 0.050 Uiso 1 1 calc R U . . .
H7B H 0.2595 0.5084 0.6184 0.050 Uiso 1 1 calc R U . . .
H7C H 0.2852 0.3924 0.5890 0.050 Uiso 1 1 calc R U . . .
C8 C 0.38425(11) 0.62970(16) 0.62413(7) 0.0447(4) Uani 1 1 d . . . . .
H8A H 0.3880 0.6665 0.5907 0.054 Uiso 1 1 calc R U . . .
H8B H 0.4289 0.6413 0.6443 0.054 Uiso 1 1 calc R U . . .
H8C H 0.3452 0.6671 0.6414 0.054 Uiso 1 1 calc R U . . .
C9 C 0.41171(11) 0.42092(18) 0.53116(6) 0.0433(4) Uani 1 1 d . . . . .
H9A H 0.4098 0.5021 0.5172 0.052 Uiso 1 1 calc R U . . .
H9B H 0.3660 0.3809 0.5236 0.052 Uiso 1 1 calc R U . . .
H9C H 0.4498 0.3759 0.5159 0.052 Uiso 1 1 calc R U . . .
C10 C 0.50150(9) 0.47554(17) 0.59943(6) 0.0365(4) Uani 1 1 d . . . . .
H10A H 0.5060 0.5535 0.5830 0.044 Uiso 1 1 calc R U . . .
H10B H 0.5362 0.4197 0.5863 0.044 Uiso 1 1 calc R U . . .
H10C H 0.5105 0.4846 0.6361 0.044 Uiso 1 1 calc R U . . .
C11 C 0.32322(7) 0.22823(12) 0.66217(5) 0.0217(3) Uani 1 1 d . . . . .
C12 C 0.21525(8) 0.16727(15) 0.68529(6) 0.0332(3) Uani 1 1 d . . . . .
C13 C 0.22986(8) 0.10768(15) 0.64276(6) 0.0323(3) Uani 1 1 d . . . . .
C14 C 0.28457(8) 0.31800(14) 0.74239(6) 0.0310(3) Uani 1 1 d . . . . .
H14 H 0.3274 0.3685 0.7369 0.037 Uiso 1 1 calc R U . . .
C15 C 0.30224(12) 0.24237(19) 0.78934(7) 0.0477(4) Uani 1 1 d . . . . .
H15A H 0.3119 0.2949 0.8186 0.057 Uiso 1 1 calc R U . . .
H15B H 0.3443 0.1934 0.7839 0.057 Uiso 1 1 calc R U . . .
H15C H 0.2618 0.1902 0.7957 0.057 Uiso 1 1 calc R U . . .
C16 C 0.22243(11) 0.40328(18) 0.74802(9) 0.0503(5) Uani 1 1 d . . . . .
H16A H 0.2362 0.4656 0.7727 0.060 Uiso 1 1 calc R U . . .
H16B H 0.1815 0.3588 0.7597 0.060 Uiso 1 1 calc R U . . .
H16C H 0.2096 0.4404 0.7152 0.060 Uiso 1 1 calc R U . . .
C17 C 0.33695(9) 0.09407(15) 0.58703(6) 0.0329(3) Uani 1 1 d . . . . .
H17 H 0.3849 0.1329 0.5887 0.039 Uiso 1 1 calc R U . . .
C18 C 0.34911(11) -0.04045(17) 0.59286(8) 0.0470(4) Uani 1 1 d . . . . .
H18A H 0.3883 -0.0650 0.5722 0.056 Uiso 1 1 calc R U . . .
H18B H 0.3057 -0.0834 0.5816 0.056 Uiso 1 1 calc R U . . .
H18C H 0.3611 -0.0592 0.6285 0.056 Uiso 1 1 calc R U . . .
C19 C 0.30130(12) 0.1254(2) 0.53573(7) 0.0525(5) Uani 1 1 d . . . . .
H19A H 0.3321 0.1009 0.5088 0.063 Uiso 1 1 calc R U . . .
H19B H 0.2932 0.2119 0.5338 0.063 Uiso 1 1 calc R U . . .
H19C H 0.2556 0.0835 0.5315 0.063 Uiso 1 1 calc R U . . .
C20 C 0.15016(10) 0.1567(2) 0.71548(9) 0.0530(5) Uani 1 1 d . . . . .
H20A H 0.1218 0.0878 0.7034 0.064 Uiso 1 1 calc R U . . .
H20B H 0.1216 0.2297 0.7114 0.064 Uiso 1 1 calc R U . . .
H20C H 0.1645 0.1457 0.7514 0.064 Uiso 1 1 calc R U . . .
C21 C 0.18306(11) 0.0202(2) 0.61401(8) 0.0511(5) Uani 1 1 d . . . . .
H21A H 0.1412 0.0029 0.6333 0.061 Uiso 1 1 calc R U . . .
H21B H 0.2095 -0.0539 0.6089 0.061 Uiso 1 1 calc R U . . .
H21C H 0.1678 0.0544 0.5810 0.061 Uiso 1 1 calc R U . . .
B B 0.39710(8) 0.31520(14) 0.66059(6) 0.0209(3) Uani 1 1 d . . . . .
O1S O 0.10415(12) 0.5374(2) 0.55890(9) 0.0897(6) Uani 1 1 d . . . . .
C1S C 0.0983(3) 0.6585(4) 0.5641(2) 0.1423(19) Uani 1 1 d . . . . .
H1SA H 0.1086 0.6791 0.6002 0.171 Uiso 1 1 calc R U . . .
H1SB H 0.0484 0.6816 0.5553 0.171 Uiso 1 1 calc R U . . .
C2S C 0.1427(3) 0.7265(3) 0.53481(18) 0.141(2) Uani 1 1 d . . . . .
H2SA H 0.1347 0.8117 0.5411 0.169 Uiso 1 1 calc R U . . .
H2SB H 0.1925 0.7066 0.5439 0.169 Uiso 1 1 calc R U . . .
H2SC H 0.1322 0.7091 0.4988 0.169 Uiso 1 1 calc R U . . .
C3S C 0.0657(3) 0.4647(6) 0.5871(2) 0.176(3) Uani 1 1 d . . . . .
H3SA H 0.0148 0.4808 0.5782 0.211 Uiso 1 1 calc R U . . .
H3SB H 0.0747 0.4884 0.6230 0.211 Uiso 1 1 calc R U . . .
C4S C 0.0760(3) 0.3410(5) 0.5842(2) 0.153(2) Uani 1 1 d . . . . .
H4SA H 0.0442 0.3004 0.6069 0.183 Uiso 1 1 calc R U . . .
H4SB H 0.0653 0.3142 0.5493 0.183 Uiso 1 1 calc R U . . .
H4SC H 0.1255 0.3218 0.5943 0.183 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Te C1 2.0776(13) 2_656 ?
Te C1 2.0776(13) . ?
O1 C5 1.4271(17) . ?
O1 B 1.4833(18) . ?
O2 C6 1.4293(18) . ?
O2 B 1.4762(17) . ?
N1 C11 1.3514(18) . ?
N1 C12 1.3955(19) . ?
N1 C14 1.4818(19) . ?
N2 C11 1.3542(18) . ?
N2 C13 1.3949(19) . ?
N2 C17 1.486(2) . ?
C1 C2 1.3663(19) . ?
C1 B 1.6258(19) . ?
C2 C2 1.462(3) 2_656 ?
C2 C3 1.5179(19) . ?
C3 C4 1.527(2) . ?
C4 C4 1.519(4) 2_656 ?
C5 C8 1.526(2) . ?
C5 C7 1.534(2) . ?
C5 C6 1.557(2) . ?
C6 C10 1.526(2) . ?
C6 C9 1.528(2) . ?
C11 B 1.6985(19) . ?
C12 C13 1.347(2) . ?
C12 C20 1.501(2) . ?
C13 C21 1.496(2) . ?
C14 C16 1.522(2) . ?
C14 C15 1.523(2) . ?
C17 C19 1.521(2) . ?
C17 C18 1.528(2) . ?
O1S C3S 1.341(5) . ?
O1S C1S 1.365(5) . ?
C1S C2S 1.395(6) . ?
C3S C4S 1.399(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Te C1 84.53(8) 2_656 . ?
C5 O1 B 108.39(11) . . ?
C6 O2 B 109.12(11) . . ?
C11 N1 C12 110.51(12) . . ?
C11 N1 C14 122.82(12) . . ?
C12 N1 C14 126.57(13) . . ?
C11 N2 C13 109.95(12) . . ?
C11 N2 C17 124.34(12) . . ?
C13 N2 C17 125.58(13) . . ?
C2 C1 B 133.27(12) . . ?
C2 C1 Te 108.53(9) . . ?
B C1 Te 118.16(9) . . ?
C1 C2 C2 119.19(8) . 2_656 ?
C1 C2 C3 120.57(12) . . ?
C2 C2 C3 120.24(8) 2_656 . ?
C2 C3 C4 113.77(13) . . ?
C4 C4 C3 109.75(14) 2_656 . ?
O1 C5 C8 108.17(13) . . ?
O1 C5 C7 109.07(12) . . ?
C8 C5 C7 109.35(14) . . ?
O1 C5 C6 102.50(11) . . ?
C8 C5 C6 114.58(13) . . ?
C7 C5 C6 112.77(14) . . ?
O2 C6 C10 108.34(13) . . ?
O2 C6 C9 108.97(13) . . ?
C10 C6 C9 108.70(13) . . ?
O2 C6 C5 103.12(11) . . ?
C10 C6 C5 112.45(13) . . ?
C9 C6 C5 114.92(14) . . ?
N1 C11 N2 105.75(12) . . ?
N1 C11 B 123.44(12) . . ?
N2 C11 B 130.52(12) . . ?
C13 C12 N1 106.48(13) . . ?
C13 C12 C20 127.78(15) . . ?
N1 C12 C20 125.73(16) . . ?
C12 C13 N2 107.27(13) . . ?
C12 C13 C21 127.33(16) . . ?
N2 C13 C21 125.39(16) . . ?
N1 C14 C16 111.71(14) . . ?
N1 C14 C15 110.53(14) . . ?
C16 C14 C15 113.81(15) . . ?
N2 C17 C19 111.39(15) . . ?
N2 C17 C18 112.09(15) . . ?
C19 C17 C18 111.90(15) . . ?
O2 B O1 104.67(11) . . ?
O2 B C1 117.25(11) . . ?
O1 B C1 108.54(11) . . ?
O2 B C11 107.96(11) . . ?
O1 B C11 108.35(10) . . ?
C1 B C11 109.70(11) . . ?
C3S O1S C1S 119.8(4) . . ?
O1S C1S C2S 115.5(4) . . ?
O1S C3S C4S 119.2(4) . . ?

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
C1 Te C1 C2 -0.40(7) 2_656 . . . ?
C1 Te C1 B 177.65(12) 2_656 . . . ?
B C1 C2 C2 -176.48(15) . . . 2_656 ?
Te C1 C2 C2 1.15(19) . . . 2_656 ?
B C1 C2 C3 2.8(2) . . . . ?
Te C1 C2 C3 -179.59(11) . . . . ?
C1 C2 C3 C4 164.39(14) . . . . ?
C2 C2 C3 C4 -16.4(2) 2_656 . . . ?
C2 C3 C4 C4 48.9(2) . . . 2_656 ?
B O1 C5 C8 -152.36(12) . . . . ?
B O1 C5 C7 88.80(15) . . . . ?
B O1 C5 C6 -30.94(14) . . . . ?
B O2 C6 C10 93.55(14) . . . . ?
B O2 C6 C9 -148.34(13) . . . . ?
B O2 C6 C5 -25.82(14) . . . . ?
O1 C5 C6 O2 34.71(14) . . . . ?
C8 C5 C6 O2 151.63(13) . . . . ?
C7 C5 C6 O2 -82.42(15) . . . . ?
O1 C5 C6 C10 -81.77(15) . . . . ?
C8 C5 C6 C10 35.15(18) . . . . ?
C7 C5 C6 C10 161.10(14) . . . . ?
O1 C5 C6 C9 153.16(13) . . . . ?
C8 C5 C6 C9 -89.92(17) . . . . ?
C7 C5 C6 C9 36.03(19) . . . . ?
C12 N1 C11 N2 -1.62(16) . . . . ?
C14 N1 C11 N2 175.03(13) . . . . ?
C12 N1 C11 B 172.85(12) . . . . ?
C14 N1 C11 B -10.5(2) . . . . ?
C13 N2 C11 N1 1.95(16) . . . . ?
C17 N2 C11 N1 -174.25(13) . . . . ?
C13 N2 C11 B -171.99(13) . . . . ?
C17 N2 C11 B 11.8(2) . . . . ?
C11 N1 C12 C13 0.68(18) . . . . ?
C14 N1 C12 C13 -175.81(14) . . . . ?
C11 N1 C12 C20 179.61(17) . . . . ?
C14 N1 C12 C20 3.1(3) . . . . ?
N1 C12 C13 N2 0.53(18) . . . . ?
C20 C12 C13 N2 -178.37(18) . . . . ?
N1 C12 C13 C21 -178.16(17) . . . . ?
C20 C12 C13 C21 2.9(3) . . . . ?
C11 N2 C13 C12 -1.57(18) . . . . ?
C17 N2 C13 C12 174.57(14) . . . . ?
C11 N2 C13 C21 177.15(17) . . . . ?
C17 N2 C13 C21 -6.7(3) . . . . ?
C11 N1 C14 C16 129.09(16) . . . . ?
C12 N1 C14 C16 -54.8(2) . . . . ?
C11 N1 C14 C15 -103.10(16) . . . . ?
C12 N1 C14 C15 72.99(19) . . . . ?
C11 N2 C17 C19 -115.95(17) . . . . ?
C13 N2 C17 C19 68.4(2) . . . . ?
C11 N2 C17 C18 117.80(16) . . . . ?
C13 N2 C17 C18 -57.8(2) . . . . ?
C6 O2 B O1 7.63(14) . . . . ?
C6 O2 B C1 -112.67(13) . . . . ?
C6 O2 B C11 122.90(12) . . . . ?
C5 O1 B O2 15.93(13) . . . . ?
C5 O1 B C1 141.87(11) . . . . ?
C5 O1 B C11 -99.07(12) . . . . ?
C2 C1 B O2 -80.24(19) . . . . ?
Te C1 B O2 102.30(12) . . . . ?
C2 C1 B O1 161.52(14) . . . . ?
Te C1 B O1 -15.94(14) . . . . ?
C2 C1 B C11 43.3(2) . . . . ?
Te C1 B C11 -134.15(9) . . . . ?
N1 C11 B O2 -158.86(12) . . . . ?
N2 C11 B O2 14.14(19) . . . . ?
N1 C11 B O1 -46.03(17) . . . . ?
N2 C11 B O1 126.97(15) . . . . ?
N1 C11 B C1 72.30(16) . . . . ?
N2 C11 B C1 -114.70(15) . . . . ?
C3S O1S C1S C2S 177.2(5) . . . . ?
C1S O1S C3S C4S -175.4(6) . . . . ?

_refine_diff_density_max         0.400
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.043


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_riv1694
_database_code_depnum_ccdc_archive 'CCDC 1487270'
_audit_update_record             
;
2016-06-23 deposited with the CCDC.
2016-07-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C31 H52 B2 N2 O4 Te'
_chemical_formula_sum            'C31 H52 B2 N2 O4 Te'
_chemical_formula_weight         665.96

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'
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'
Te Te -0.1759 6.3531 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

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'

_cell_length_a                   10.3086(2)
_cell_length_b                   15.0795(3)
_cell_length_c                   21.3795(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.2679(7)
_cell_angle_gamma                90
_cell_volume                     3318.01(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9945
_cell_measurement_theta_min      3.59
_cell_measurement_theta_max      73.79

_exptl_crystal_description       fragment
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_F_000             1384
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.442
_exptl_crystal_size_mid          0.245
_exptl_crystal_size_min          0.124
_exptl_absorpt_coefficient_mu    7.350
_shelx_estimated_absorpt_T_min   0.140
_shelx_estimated_absorpt_T_max   0.463
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.1784
_exptl_absorpt_correction_T_max  0.5988
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18158
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.589
_diffrn_reflns_theta_max         73.978
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6668
_reflns_number_gt                6523
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'DIRDIF-2008 (Beurskens et al., 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0355P)²+1.9906P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6668
_refine_ls_number_parameters     363
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0266
_refine_ls_R_factor_gt           0.0261
_refine_ls_wR_factor_ref         0.0668
_refine_ls_wR_factor_gt          0.0665
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Te Te 0.25148(2) 0.16039(2) 0.15073(2) 0.02164(5) Uani 1 1 d . . . . .
O1 O 0.10165(12) 0.31709(8) 0.09490(6) 0.0188(2) Uani 1 1 d . . . . .
O2 O -0.07692(11) 0.23956(8) 0.04977(5) 0.0174(2) Uani 1 1 d . . . . .
O3 O 0.45007(13) 0.01798(10) 0.22447(6) 0.0285(3) Uani 1 1 d . . . . .
O4 O 0.48762(13) -0.08493(9) 0.14879(6) 0.0259(3) Uani 1 1 d . . . . .
N1 N 0.02288(14) 0.28908(10) -0.07925(7) 0.0175(3) Uani 1 1 d . . . . .
N2 N 0.21292(15) 0.32228(10) -0.03863(7) 0.0190(3) Uani 1 1 d . . . . .
C1 C 0.18661(16) 0.08811(11) 0.03047(7) 0.0169(3) Uani 1 1 d . . . . .
C2 C 0.27868(16) 0.02538(12) 0.05919(8) 0.0185(3) Uani 1 1 d . . . . .
C3 C 0.32237(18) -0.05451(12) 0.02270(8) 0.0233(4) Uani 1 1 d . . . . .
H3A H 0.2735 -0.1074 0.0354 0.028 Uiso 1 1 calc R U . . .
H3B H 0.4157 -0.0654 0.0333 0.028 Uiso 1 1 calc R U . . .
C4 C 0.30144(18) -0.04176(13) -0.04808(9) 0.0238(4) Uani 1 1 d . . . . .
H4A H 0.3602 0.0052 -0.0622 0.029 Uiso 1 1 calc R U . . .
H4B H 0.3220 -0.0975 -0.0699 0.029 Uiso 1 1 calc R U . . .
C5 C 0.16070(18) -0.01578(12) -0.06429(9) 0.0226(4) Uani 1 1 d . . . . .
H5A H 0.1020 -0.0607 -0.0475 0.027 Uiso 1 1 calc R U . . .
H5B H 0.1448 -0.0139 -0.1104 0.027 Uiso 1 1 calc R U . . .
C6 C 0.13177(17) 0.07487(12) -0.03655(8) 0.0206(3) Uani 1 1 d . . . . .
H6A H 0.1678 0.1213 -0.0633 0.025 Uiso 1 1 calc R U . . .
H6B H 0.0364 0.0832 -0.0376 0.025 Uiso 1 1 calc R U . . .
C10 C 0.15343(17) 0.16184(11) 0.06354(8) 0.0167(3) Uani 1 1 d . . . . .
C11 C -0.01365(18) 0.36162(12) 0.11174(9) 0.0214(4) Uani 1 1 d . . . . .
C12 C -0.11920(17) 0.28807(12) 0.10262(8) 0.0195(3) Uani 1 1 d . . . . .
C13 C 0.0073(2) 0.39497(15) 0.17888(10) 0.0332(5) Uani 1 1 d . . . . .
H13A H -0.0710 0.4257 0.1912 0.040 Uiso 1 1 calc R U . . .
H13B H 0.0254 0.3446 0.2070 0.040 Uiso 1 1 calc R U . . .
H13C H 0.0811 0.4360 0.1816 0.040 Uiso 1 1 calc R U . . .
C14 C -0.0373(2) 0.44021(13) 0.06761(11) 0.0327(4) Uani 1 1 d . . . . .
H14A H -0.1162 0.4716 0.0785 0.039 Uiso 1 1 calc R U . . .
H14B H 0.0370 0.4807 0.0716 0.039 Uiso 1 1 calc R U . . .
H14C H -0.0480 0.4188 0.0243 0.039 Uiso 1 1 calc R U . . .
C15 C -0.12295(19) 0.22539(13) 0.15866(9) 0.0255(4) Uani 1 1 d . . . . .
H15A H -0.1518 0.2580 0.1950 0.031 Uiso 1 1 calc R U . . .
H15B H -0.1836 0.1768 0.1485 0.031 Uiso 1 1 calc R U . . .
H15C H -0.0359 0.2012 0.1684 0.031 Uiso 1 1 calc R U . . .
C16 C -0.25598(19) 0.32305(15) 0.08726(10) 0.0311(4) Uani 1 1 d . . . . .
H16A H -0.2855 0.3563 0.1232 0.037 Uiso 1 1 calc R U . . .
H16B H -0.2554 0.3622 0.0507 0.037 Uiso 1 1 calc R U . . .
H16C H -0.3149 0.2732 0.0780 0.037 Uiso 1 1 calc R U . . .
C20 C 0.32557(17) 0.04211(12) 0.11946(8) 0.0209(3) Uani 1 1 d . . . . .
C21 C 0.56661(18) -0.03000(14) 0.24625(8) 0.0248(4) Uani 1 1 d . . . . .
C22 C 0.55553(19) -0.11631(13) 0.20652(9) 0.0261(4) Uani 1 1 d . . . . .
C23 C 0.5661(2) -0.04473(17) 0.31658(9) 0.0375(5) Uani 1 1 d . . . . .
H23A H 0.6448 -0.0770 0.3309 0.045 Uiso 1 1 calc R U . . .
H23B H 0.5640 0.0127 0.3379 0.045 Uiso 1 1 calc R U . . .
H23C H 0.4893 -0.0794 0.3262 0.045 Uiso 1 1 calc R U . . .
C24 C 0.6806(2) 0.02878(16) 0.23093(11) 0.0362(5) Uani 1 1 d . . . . .
H24A H 0.7622 -0.0005 0.2447 0.043 Uiso 1 1 calc R U . . .
H24B H 0.6789 0.0389 0.1856 0.043 Uiso 1 1 calc R U . . .
H24C H 0.6740 0.0857 0.2526 0.043 Uiso 1 1 calc R U . . .
C25 C 0.4691(2) -0.18658(17) 0.23376(12) 0.0419(6) Uani 1 1 d . . . . .
H25A H 0.5110 -0.2096 0.2727 0.050 Uiso 1 1 calc R U . . .
H25B H 0.3851 -0.1603 0.2425 0.050 Uiso 1 1 calc R U . . .
H25C H 0.4556 -0.2351 0.2036 0.050 Uiso 1 1 calc R U . . .
C26 C 0.6850(2) -0.15571(15) 0.19051(12) 0.0374(5) Uani 1 1 d . . . . .
H26A H 0.7314 -0.1770 0.2289 0.045 Uiso 1 1 calc R U . . .
H26B H 0.6700 -0.2053 0.1614 0.045 Uiso 1 1 calc R U . . .
H26C H 0.7371 -0.1102 0.1709 0.045 Uiso 1 1 calc R U . . .
C30 C 0.09804(16) 0.28594(11) -0.02515(8) 0.0169(3) Uani 1 1 d . . . . .
C31 C 0.09052(19) 0.32903(12) -0.12641(8) 0.0204(4) Uani 1 1 d . . . . .
C32 C 0.20960(19) 0.34975(12) -0.10115(9) 0.0211(4) Uani 1 1 d . . . . .
C33 C -0.10887(18) 0.24911(14) -0.08734(9) 0.0265(4) Uani 1 1 d . . . . .
H33 H -0.1244 0.2166 -0.0477 0.032 Uiso 1 1 calc R U . . .
C34 C -0.1169(2) 0.18048(16) -0.14029(10) 0.0368(5) Uani 1 1 d . . . . .
H34A H -0.2048 0.1556 -0.1443 0.044 Uiso 1 1 calc R U . . .
H34B H -0.0969 0.2091 -0.1798 0.044 Uiso 1 1 calc R U . . .
H34C H -0.0542 0.1329 -0.1307 0.044 Uiso 1 1 calc R U . . .
C35 C -0.2135(2) 0.3199(2) -0.09512(12) 0.0446(6) Uani 1 1 d . . . . .
H35A H -0.2989 0.2915 -0.1003 0.054 Uiso 1 1 calc R U . . .
H35B H -0.2106 0.3579 -0.0579 0.054 Uiso 1 1 calc R U . . .
H35C H -0.1984 0.3559 -0.1322 0.054 Uiso 1 1 calc R U . . .
C36 C 0.0384(2) 0.34632(14) -0.19187(10) 0.0317(5) Uani 1 1 d . . . . .
H36A H -0.0483 0.3727 -0.1910 0.038 Uiso 1 1 calc R U . . .
H36B H 0.0330 0.2904 -0.2152 0.038 Uiso 1 1 calc R U . . .
H36C H 0.0964 0.3872 -0.2124 0.038 Uiso 1 1 calc R U . . .
C37 C 0.3177(2) 0.39573(15) -0.13204(10) 0.0322(4) Uani 1 1 d . . . . .
H37A H 0.2995 0.3958 -0.1775 0.039 Uiso 1 1 calc R U . . .
H37B H 0.3996 0.3645 -0.1219 0.039 Uiso 1 1 calc R U . . .
H37C H 0.3247 0.4570 -0.1169 0.039 Uiso 1 1 calc R U . . .
C38 C 0.32753(19) 0.32240(14) 0.00680(10) 0.0275(4) Uani 1 1 d . . . . .
H38 H 0.2961 0.3026 0.0480 0.033 Uiso 1 1 calc R U . . .
C39 C 0.4268(2) 0.25359(19) -0.01247(12) 0.0441(6) Uani 1 1 d . . . . .
H39A H 0.5020 0.2541 0.0177 0.053 Uiso 1 1 calc R U . . .
H39B H 0.3869 0.1946 -0.0132 0.053 Uiso 1 1 calc R U . . .
H39C H 0.4551 0.2680 -0.0543 0.053 Uiso 1 1 calc R U . . .
C40 C 0.3834(3) 0.41481(18) 0.01673(12) 0.0474(6) Uani 1 1 d . . . . .
H40A H 0.4585 0.4121 0.0469 0.057 Uiso 1 1 calc R U . . .
H40B H 0.4107 0.4382 -0.0232 0.057 Uiso 1 1 calc R U . . .
H40C H 0.3171 0.4538 0.0329 0.057 Uiso 1 1 calc R U . . .
B1 B 0.06486(18) 0.24902(12) 0.04716(8) 0.0155(3) Uani 1 1 d . . . . .
B2 B 0.4210(2) -0.00962(15) 0.16364(10) 0.0224(4) Uani 1 1 d . . . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Te C20 2.0664(18) . ?
Te C10 2.0693(17) . ?
O1 C11 1.429(2) . ?
O1 B1 1.482(2) . ?
O2 C12 1.435(2) . ?
O2 B1 1.473(2) . ?
O3 B2 1.382(2) . ?
O3 C21 1.456(2) . ?
O4 B2 1.374(2) . ?
O4 C22 1.463(2) . ?
N1 C30 1.356(2) . ?
N1 C31 1.395(2) . ?
N1 C33 1.487(2) . ?
N2 C30 1.351(2) . ?
N2 C32 1.398(2) . ?
N2 C38 1.486(2) . ?
C1 C10 1.371(2) . ?
C1 C2 1.451(2) . ?
C1 C6 1.523(2) . ?
C2 C20 1.374(2) . ?
C2 C3 1.517(2) . ?
C3 C4 1.528(2) . ?
C4 C5 1.524(3) . ?
C5 C6 1.526(2) . ?
C10 B1 1.627(2) . ?
C11 C13 1.525(3) . ?
C11 C14 1.526(3) . ?
C11 C12 1.558(2) . ?
C12 C16 1.524(2) . ?
C12 C15 1.528(2) . ?
C20 B2 1.537(3) . ?
C21 C23 1.520(3) . ?
C21 C24 1.522(3) . ?
C21 C22 1.555(3) . ?
C22 C26 1.518(3) . ?
C22 C25 1.521(3) . ?
C30 B1 1.696(2) . ?
C31 C32 1.349(3) . ?
C31 C36 1.493(3) . ?
C32 C37 1.497(3) . ?
C33 C35 1.519(3) . ?
C33 C34 1.533(3) . ?
C38 C40 1.518(3) . ?
C38 C39 1.531(3) . ?

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
C20 Te C10 83.58(7) . . ?
C11 O1 B1 108.37(13) . . ?
C12 O2 B1 109.10(12) . . ?
B2 O3 C21 106.39(14) . . ?
B2 O4 C22 107.09(14) . . ?
C30 N1 C31 110.29(15) . . ?
C30 N1 C33 123.98(14) . . ?
C31 N1 C33 125.58(15) . . ?
C30 N2 C32 110.51(15) . . ?
C30 N2 C38 122.34(15) . . ?
C32 N2 C38 126.86(15) . . ?
C10 C1 C2 119.12(15) . . ?
C10 C1 C6 120.08(15) . . ?
C2 C1 C6 120.75(15) . . ?
C20 C2 C1 117.64(16) . . ?
C20 C2 C3 121.95(16) . . ?
C1 C2 C3 120.40(15) . . ?
C2 C3 C4 112.32(15) . . ?
C5 C4 C3 109.66(15) . . ?
C4 C5 C6 110.28(15) . . ?
C1 C6 C5 114.37(15) . . ?
C1 C10 B1 134.22(15) . . ?
C1 C10 Te 109.42(12) . . ?
B1 C10 Te 116.20(11) . . ?
O1 C11 C13 108.46(15) . . ?
O1 C11 C14 108.39(15) . . ?
C13 C11 C14 109.58(17) . . ?
O1 C11 C12 102.64(14) . . ?
C13 C11 C12 114.40(16) . . ?
C14 C11 C12 112.93(16) . . ?
O2 C12 C16 109.01(14) . . ?
O2 C12 C15 108.94(14) . . ?
C16 C12 C15 108.58(16) . . ?
O2 C12 C11 102.72(13) . . ?
C16 C12 C11 114.31(16) . . ?
C15 C12 C11 113.01(15) . . ?
C2 C20 B2 131.45(17) . . ?
C2 C20 Te 110.20(12) . . ?
B2 C20 Te 118.34(13) . . ?
O3 C21 C23 109.87(15) . . ?
O3 C21 C24 105.95(16) . . ?
C23 C21 C24 110.12(18) . . ?
O3 C21 C22 101.98(14) . . ?
C23 C21 C22 114.44(18) . . ?
C24 C21 C22 113.79(17) . . ?
O4 C22 C26 108.72(16) . . ?
O4 C22 C25 106.62(16) . . ?
C26 C22 C25 110.81(18) . . ?
O4 C22 C21 101.94(14) . . ?
C26 C22 C21 114.37(17) . . ?
C25 C22 C21 113.61(18) . . ?
N2 C30 N1 105.60(14) . . ?
N2 C30 B1 123.54(14) . . ?
N1 C30 B1 130.83(14) . . ?
C32 C31 N1 106.96(16) . . ?
C32 C31 C36 127.23(18) . . ?
N1 C31 C36 125.80(18) . . ?
C31 C32 N2 106.63(16) . . ?
C31 C32 C37 127.85(18) . . ?
N2 C32 C37 125.50(18) . . ?
N1 C33 C35 111.47(18) . . ?
N1 C33 C34 111.73(17) . . ?
C35 C33 C34 112.66(18) . . ?
N2 C38 C40 111.94(18) . . ?
N2 C38 C39 110.01(17) . . ?
C40 C38 C39 113.9(2) . . ?
O2 B1 O1 104.87(13) . . ?
O2 B1 C10 117.36(14) . . ?
O1 B1 C10 107.04(13) . . ?
O2 B1 C30 108.57(13) . . ?
O1 B1 C30 110.08(13) . . ?
C10 B1 C30 108.75(13) . . ?
O4 B2 O3 112.46(16) . . ?
O4 B2 C20 126.04(17) . . ?
O3 B2 C20 121.49(17) . . ?

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
C10 C1 C2 C20 1.8(2) . . . . ?
C6 C1 C2 C20 179.09(16) . . . . ?
C10 C1 C2 C3 -177.03(16) . . . . ?
C6 C1 C2 C3 0.2(2) . . . . ?
C20 C2 C3 C4 -157.84(17) . . . . ?
C1 C2 C3 C4 21.0(2) . . . . ?
C2 C3 C4 C5 -53.2(2) . . . . ?
C3 C4 C5 C6 65.3(2) . . . . ?
C10 C1 C6 C5 -171.54(16) . . . . ?
C2 C1 C6 C5 11.2(2) . . . . ?
C4 C5 C6 C1 -43.4(2) . . . . ?
C2 C1 C10 B1 174.91(17) . . . . ?
C6 C1 C10 B1 -2.4(3) . . . . ?
C2 C1 C10 Te -0.3(2) . . . . ?
C6 C1 C10 Te -177.58(12) . . . . ?
B1 O1 C11 C13 151.93(15) . . . . ?
B1 O1 C11 C14 -89.18(17) . . . . ?
B1 O1 C11 C12 30.51(17) . . . . ?
B1 O2 C12 C16 148.28(15) . . . . ?
B1 O2 C12 C15 -93.40(16) . . . . ?
B1 O2 C12 C11 26.68(17) . . . . ?
O1 C11 C12 O2 -34.90(16) . . . . ?
C13 C11 C12 O2 -152.17(15) . . . . ?
C14 C11 C12 O2 81.58(18) . . . . ?
O1 C11 C12 C16 -152.82(15) . . . . ?
C13 C11 C12 C16 89.9(2) . . . . ?
C14 C11 C12 C16 -36.3(2) . . . . ?
O1 C11 C12 C15 82.31(17) . . . . ?
C13 C11 C12 C15 -35.0(2) . . . . ?
C14 C11 C12 C15 -161.21(16) . . . . ?
C1 C2 C20 B2 179.18(18) . . . . ?
C3 C2 C20 B2 -2.0(3) . . . . ?
C1 C2 C20 Te -2.3(2) . . . . ?
C3 C2 C20 Te 176.54(13) . . . . ?
B2 O3 C21 C23 -149.59(18) . . . . ?
B2 O3 C21 C24 91.49(19) . . . . ?
B2 O3 C21 C22 -27.82(19) . . . . ?
B2 O4 C22 C26 -144.73(18) . . . . ?
B2 O4 C22 C25 95.8(2) . . . . ?
B2 O4 C22 C21 -23.59(19) . . . . ?
O3 C21 C22 O4 31.02(17) . . . . ?
C23 C21 C22 O4 149.58(16) . . . . ?
C24 C21 C22 O4 -82.59(18) . . . . ?
O3 C21 C22 C26 148.14(17) . . . . ?
C23 C21 C22 C26 -93.3(2) . . . . ?
C24 C21 C22 C26 34.5(2) . . . . ?
O3 C21 C22 C25 -83.28(18) . . . . ?
C23 C21 C22 C25 35.3(2) . . . . ?
C24 C21 C22 C25 163.11(17) . . . . ?
C32 N2 C30 N1 0.96(19) . . . . ?
C38 N2 C30 N1 -173.19(16) . . . . ?
C32 N2 C30 B1 -177.49(15) . . . . ?
C38 N2 C30 B1 8.4(3) . . . . ?
C31 N1 C30 N2 -1.06(19) . . . . ?
C33 N1 C30 N2 174.71(16) . . . . ?
C31 N1 C30 B1 177.22(16) . . . . ?
C33 N1 C30 B1 -7.0(3) . . . . ?
C30 N1 C31 C32 0.8(2) . . . . ?
C33 N1 C31 C32 -174.92(17) . . . . ?
C30 N1 C31 C36 -178.31(18) . . . . ?
C33 N1 C31 C36 6.0(3) . . . . ?
N1 C31 C32 N2 -0.2(2) . . . . ?
C36 C31 C32 N2 178.91(18) . . . . ?
N1 C31 C32 C37 -178.35(18) . . . . ?
C36 C31 C32 C37 0.7(3) . . . . ?
C30 N2 C32 C31 -0.5(2) . . . . ?
C38 N2 C32 C31 173.32(17) . . . . ?
C30 N2 C32 C37 177.74(18) . . . . ?
C38 N2 C32 C37 -8.4(3) . . . . ?
C30 N1 C33 C35 111.3(2) . . . . ?
C31 N1 C33 C35 -73.5(2) . . . . ?
C30 N1 C33 C34 -121.63(19) . . . . ?
C31 N1 C33 C34 53.5(2) . . . . ?
C30 N2 C38 C40 -127.1(2) . . . . ?
C32 N2 C38 C40 59.7(3) . . . . ?
C30 N2 C38 C39 105.1(2) . . . . ?
C32 N2 C38 C39 -68.0(2) . . . . ?
C12 O2 B1 O1 -8.81(17) . . . . ?
C12 O2 B1 C10 109.78(16) . . . . ?
C12 O2 B1 C30 -126.46(14) . . . . ?
C11 O1 B1 O2 -14.90(17) . . . . ?
C11 O1 B1 C10 -140.26(14) . . . . ?
C11 O1 B1 C30 101.71(15) . . . . ?
C1 C10 B1 O2 80.8(2) . . . . ?
Te C10 B1 O2 -104.29(14) . . . . ?
C1 C10 B1 O1 -161.81(18) . . . . ?
Te C10 B1 O1 13.14(17) . . . . ?
C1 C10 B1 C30 -42.9(2) . . . . ?
Te C10 B1 C30 132.04(12) . . . . ?
N2 C30 B1 O2 162.96(15) . . . . ?
N1 C30 B1 O2 -15.1(2) . . . . ?
N2 C30 B1 O1 48.7(2) . . . . ?
N1 C30 B1 O1 -129.34(18) . . . . ?
N2 C30 B1 C10 -68.3(2) . . . . ?
N1 C30 B1 C10 113.69(19) . . . . ?
C22 O4 B2 O3 7.0(2) . . . . ?
C22 O4 B2 C20 -174.04(18) . . . . ?
C21 O3 B2 O4 14.4(2) . . . . ?
C21 O3 B2 C20 -164.65(17) . . . . ?
C2 C20 B2 O4 4.3(3) . . . . ?
Te C20 B2 O4 -174.15(15) . . . . ?
C2 C20 B2 O3 -176.84(19) . . . . ?
Te C20 B2 O3 4.7(2) . . . . ?

_refine_diff_density_max         0.468
_refine_diff_density_min         -1.446
_refine_diff_density_rms         0.082


_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
