#------------------------------------------------------------------------------
#$Date: 2022-09-14 01:51:37 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277818 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/12/7711229.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_7711229
loop_
_publ_author_name
'Hejda, Martin'
'Zechovský, Jan'
'Kremláček, Vít'
'Erben, Milan'
'Rychagova, Elena A.'
'Jambor, Roman'
'R°užička, Aleš'
'Ketkov, Sergey Yu.'
'Dostál, Libor'
_publ_section_title
;
 Beyond simple hetero Diels-Alder Cycloadditions. A New Type of
 Element-Ligand Cooperativity at N,C,N-coordinated Arsinidene and
 Stibinidene Centres in the Reaction with an Electron Deficient Alkyne.
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02499C
_journal_year                    2022
_chemical_formula_sum            'C38 H45 N2 O4 Sb'
_chemical_formula_weight         715.51
_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
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2022-07-27 deposited with the CCDC.	2022-09-13 downloaded from the CCDC.
;
_cell_angle_alpha                102.590(2)
_cell_angle_beta                 97.846(2)
_cell_angle_gamma                107.829(2)
_cell_formula_units_Z            2
_cell_length_a                   10.0390(4)
_cell_length_b                   11.2202(4)
_cell_length_c                   17.4320(6)
_cell_measurement_reflns_used    57227
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     1780.10(12)
_computing_cell_refinement       'APEX3 v2018.1-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0998
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            57227
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.603
_diffrn_reflns_theta_min         2.259
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.815
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6057
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_description       block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.593
_exptl_crystal_size_mid          0.354
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         8216
_refine_ls_number_restraints     381
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0443
_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)+(0.0223P)²+2.1658P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0826
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6656
_reflns_number_total             8216
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02499c1.cif
_cod_data_source_block           ld210111Sb1
_cod_database_code               7711229
_shelx_shelxl_version_number     2017/1
_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.
;
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.812
;
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
Sb1 Sb 0.47155(2) 0.58922(2) 0.71596(2) 0.02314(7) Uani 1 1 d . . . . .
O1 O 0.2575(3) 0.8899(2) 0.86914(15) 0.0423(6) Uani 1 1 d . . . . .
N1 N 0.3925(3) 0.5267(2) 0.80815(15) 0.0249(6) Uani 1 1 d . . . . .
C1 C 0.6518(3) 0.6947(3) 0.81419(17) 0.0213(6) Uani 1 1 d . . . . .
O2 O 0.3682(3) 0.8416(2) 0.97255(14) 0.0352(6) Uani 1 1 d . . . . .
N2 N 0.7344(3) 0.7224(2) 0.67137(15) 0.0235(5) Uani 1 1 d . . . . .
C2 C 0.6070(3) 0.7007(3) 0.88644(17) 0.0210(6) Uani 1 1 d . . . . .
C3 C 0.7081(3) 0.7573(3) 0.95819(19) 0.0274(7) Uani 1 1 d . . . . .
H3 H 0.679282 0.761736 1.008108 0.033 Uiso 1 1 calc R U . . .
O3 O 0.4328(3) 0.9415(2) 0.73147(17) 0.0484(7) Uani 1 1 d . . . . .
C4 C 0.8526(4) 0.8077(3) 0.9568(2) 0.0328(7) Uani 1 1 d . . . . .
H4 H 0.922303 0.844111 1.006039 0.039 Uiso 1 1 calc R U . . .
O4 O 0.2270(2) 0.7763(2) 0.67321(14) 0.0347(5) Uani 1 1 d . . . . .
C5 C 0.8962(3) 0.8058(3) 0.8850(2) 0.0305(7) Uani 1 1 d . . . . .
H5 H 0.994955 0.842267 0.884987 0.037 Uiso 1 1 calc R U . . .
C6 C 0.7943(3) 0.7498(3) 0.81220(18) 0.0239(6) Uani 1 1 d . . . . .
C7 C 0.4428(3) 0.6454(3) 0.87447(18) 0.0224(6) Uani 1 1 d . . . . .
H7 H 0.411696 0.630302 0.924702 0.027 Uiso 1 1 calc R U . . .
C8 C 0.3865(3) 0.7448(3) 0.84346(18) 0.0233(6) Uani 1 1 d . . . . .
C9 C 0.3913(3) 0.7442(3) 0.76747(19) 0.0248(6) Uani 1 1 d . . . . .
C10 C 0.3303(3) 0.8332(3) 0.8947(2) 0.0280(7) Uani 1 1 d . . . . .
C11 C 0.3136(5) 0.9235(4) 1.0265(2) 0.0470(10) Uani 1 1 d . . . . .
H11A H 0.329804 1.006466 1.013058 0.071 Uiso 1 1 calc R U . . .
H11B H 0.363466 0.939929 1.082227 0.071 Uiso 1 1 calc R U . . .
H11C H 0.210573 0.879578 1.020747 0.071 Uiso 1 1 calc R U . . .
C12 C 0.3536(3) 0.8337(3) 0.7248(2) 0.0284(7) Uani 1 1 d . . . . .
C13 C 0.1855(4) 0.8571(4) 0.6270(2) 0.0444(9) Uani 1 1 d . . . . .
H13A H 0.256091 0.883262 0.594704 0.067 Uiso 1 1 calc R U . . .
H13B H 0.181277 0.934880 0.663838 0.067 Uiso 1 1 calc R U . . .
H13C H 0.090950 0.807832 0.591361 0.067 Uiso 1 1 calc R U . . .
C14 C 0.3136(3) 0.4032(3) 0.81596(17) 0.0228(6) Uani 1 1 d . . . . .
C15 C 0.3748(3) 0.3047(3) 0.80883(18) 0.0270(7) Uani 1 1 d . . . . .
C16 C 0.2926(4) 0.1824(3) 0.8138(2) 0.0343(8) Uani 1 1 d . . . . .
H16 H 0.331443 0.114491 0.807385 0.041 Uiso 1 1 calc R U . . .
C17 C 0.1579(4) 0.1584(3) 0.8278(2) 0.0379(8) Uani 1 1 d . . . . .
H17 H 0.104329 0.074662 0.831528 0.046 Uiso 1 1 calc R U . . .
C18 C 0.0988(4) 0.2560(3) 0.8366(2) 0.0368(8) Uani 1 1 d . . . . .
H18 H 0.005594 0.238998 0.847365 0.044 Uiso 1 1 calc R U . . .
C19 C 0.1744(3) 0.3787(3) 0.82972(18) 0.0267(7) Uani 1 1 d . . . . .
C20 C 0.5262(4) 0.3290(3) 0.7970(2) 0.0334(8) Uani 1 1 d . . . . .
H20 H 0.574641 0.424958 0.807371 0.040 Uiso 1 1 calc R U . . .
C21 C 0.6116(5) 0.2828(5) 0.8556(3) 0.0700(14) Uani 1 1 d . . . . .
H21A H 0.573390 0.187474 0.842131 0.105 Uiso 1 1 calc R U . . .
H21B H 0.604143 0.319404 0.910622 0.105 Uiso 1 1 calc R U . . .
H21C H 0.712498 0.311680 0.851915 0.105 Uiso 1 1 calc R U . . .
C22 C 0.5269(4) 0.2633(4) 0.7108(2) 0.0454(9) Uani 1 1 d . . . . .
H22A H 0.473491 0.294703 0.673296 0.068 Uiso 1 1 calc R U . . .
H22B H 0.481740 0.168731 0.699689 0.068 Uiso 1 1 calc R U . . .
H22C H 0.626061 0.284196 0.704039 0.068 Uiso 1 1 calc R U . . .
C23 C 0.1036(4) 0.4806(3) 0.8355(2) 0.0343(8) Uani 1 1 d . . . . .
H23 H 0.172526 0.560117 0.827266 0.041 Uiso 1 1 calc R U . . .
C24 C 0.0693(5) 0.5194(4) 0.9174(2) 0.0576(11) Uani 1 1 d . . . . .
H24A H 0.028088 0.588386 0.919022 0.086 Uiso 1 1 calc R U . . .
H24B H 0.157384 0.551256 0.959294 0.086 Uiso 1 1 calc R U . . .
H24C H 0.000179 0.443613 0.926684 0.086 Uiso 1 1 calc R U . . .
C25 C -0.0316(5) 0.4352(5) 0.7695(3) 0.0641(13) Uani 1 1 d . . . . .
H25A H -0.007012 0.417637 0.716717 0.096 Uiso 1 1 calc R U . . .
H25B H -0.074608 0.503279 0.774456 0.096 Uiso 1 1 calc R U . . .
H25C H -0.100154 0.355534 0.774999 0.096 Uiso 1 1 calc R U . . .
C26 C 0.8321(3) 0.7507(3) 0.73338(19) 0.0260(7) Uani 1 1 d . . . . .
H26 H 0.929524 0.772415 0.729201 0.031 Uiso 1 1 calc R U . . .
C27 C 0.7682(3) 0.7199(3) 0.59424(18) 0.0240(6) Uani 1 1 d . . . . .
C28 C 0.7765(3) 0.6068(3) 0.54631(18) 0.0220(6) Uani 1 1 d . . . . .
C29 C 0.8036(3) 0.6077(3) 0.47035(18) 0.0265(7) Uani 1 1 d . . . . .
H29 H 0.810488 0.531663 0.436941 0.032 Uiso 1 1 calc R U . . .
C30 C 0.8207(3) 0.7156(3) 0.44214(19) 0.0315(7) Uani 1 1 d . . . . .
H30 H 0.840854 0.714258 0.390345 0.038 Uiso 1 1 calc R U . . .
C31 C 0.8083(4) 0.8256(3) 0.4896(2) 0.0389(9) Uani 1 1 d . . . . .
H31 H 0.819433 0.899754 0.469816 0.047 Uiso 1 1 calc R U . . .
C32 C 0.7800(4) 0.8302(3) 0.5660(2) 0.0355(8) Uani 1 1 d . . . . .
C33 C 0.7488(3) 0.4820(3) 0.57242(19) 0.0268(7) Uani 1 1 d . . . . .
H33 H 0.744421 0.503012 0.630586 0.032 Uiso 1 1 calc R U . . .
C34 C 0.6052(4) 0.3801(3) 0.5246(2) 0.0452(10) Uani 1 1 d . . . . .
H34A H 0.528457 0.415623 0.531818 0.068 Uiso 1 1 calc R U . . .
H34B H 0.587452 0.302153 0.543933 0.068 Uiso 1 1 calc R U . . .
H34C H 0.607450 0.357242 0.467358 0.068 Uiso 1 1 calc R U . . .
C35 C 0.8692(4) 0.4278(4) 0.5638(2) 0.0473(10) Uani 1 1 d . . . . .
H35A H 0.874834 0.405462 0.507071 0.071 Uiso 1 1 calc R U . . .
H35B H 0.850100 0.349575 0.582963 0.071 Uiso 1 1 calc R U . . .
H35C H 0.960385 0.493441 0.595897 0.071 Uiso 1 1 calc R U . . .
C36 C 0.7611(6) 0.9498(4) 0.6160(2) 0.0534(11) Uani 1 1 d . . . . .
H36 H 0.741100 0.940118 0.669382 0.064 Uiso 1 1 calc R U . A 1
C37 C 0.6424(8) 0.9908(6) 0.5661(5) 0.0625(14) Uani 0.689(6) 1 d . . P B 1
H37A H 0.678487 1.020998 0.521706 0.094 Uiso 0.689(6) 1 calc R U P B 1
H37B H 0.623094 1.060956 0.602002 0.094 Uiso 0.689(6) 1 calc R U P B 1
H37C H 0.553641 0.915339 0.544342 0.094 Uiso 0.689(6) 1 calc R U P B 1
C38 C 0.8967(8) 1.0774(6) 0.6245(5) 0.0625(14) Uani 0.689(6) 1 d . . P B 1
H38A H 0.898990 1.093952 0.571674 0.094 Uiso 0.689(6) 1 calc R U P B 1
H38B H 0.985139 1.063737 0.644947 0.094 Uiso 0.689(6) 1 calc R U P B 1
H38C H 0.888547 1.152465 0.662065 0.094 Uiso 0.689(6) 1 calc R U P B 1
C37A C 0.6365(18) 0.9530(14) 0.6103(11) 0.0625(14) Uani 0.311(6) 1 d . . P B 2
H37D H 0.575943 0.878991 0.625482 0.094 Uiso 0.311(6) 1 calc R U P B 2
H37E H 0.596986 0.948026 0.554572 0.094 Uiso 0.311(6) 1 calc R U P B 2
H37F H 0.639120 1.034467 0.646227 0.094 Uiso 0.311(6) 1 calc R U P B 2
C38A C 0.8683(18) 1.0333(14) 0.6680(10) 0.0625(14) Uani 0.311(6) 1 d . . P B 2
H38D H 0.840730 1.105017 0.695652 0.094 Uiso 0.311(6) 1 calc R U P B 2
H38E H 0.945678 1.067138 0.641257 0.094 Uiso 0.311(6) 1 calc R U P B 2
H38F H 0.901417 0.992335 0.707326 0.094 Uiso 0.311(6) 1 calc R U P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Sb1 C1 79.52(11) . . ?
N1 Sb1 C9 78.32(10) . . ?
C1 Sb1 C9 83.26(11) . . ?
C14 N1 C7 123.1(2) . . ?
C14 N1 Sb1 133.73(19) . . ?
C7 N1 Sb1 103.15(17) . . ?
C6 C1 C2 121.7(3) . . ?
C6 C1 Sb1 128.8(2) . . ?
C2 C1 Sb1 109.5(2) . . ?
C10 O2 C11 115.2(3) . . ?
C26 N2 C27 120.8(3) . . ?
C3 C2 C1 119.2(3) . . ?
C3 C2 C7 127.9(3) . . ?
C1 C2 C7 112.8(3) . . ?
C2 C3 C4 119.5(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 121.1(3) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C12 O4 C13 114.9(3) . . ?
C4 C5 C6 119.7(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 118.7(3) . . ?
C1 C6 C26 118.6(3) . . ?
C5 C6 C26 122.7(3) . . ?
N1 C7 C2 106.6(2) . . ?
N1 C7 C8 106.3(2) . . ?
C2 C7 C8 105.7(2) . . ?
N1 C7 H7 112.6 . . ?
C2 C7 H7 112.6 . . ?
C8 C7 H7 112.6 . . ?
C9 C8 C10 122.3(3) . . ?
C9 C8 C7 115.4(3) . . ?
C10 C8 C7 122.3(3) . . ?
C8 C9 C12 126.5(3) . . ?
C8 C9 Sb1 108.2(2) . . ?
C12 C9 Sb1 125.3(2) . . ?
O1 C10 O2 123.9(3) . . ?
O1 C10 C8 124.2(3) . . ?
O2 C10 C8 111.9(3) . . ?
O2 C11 H11A 109.5 . . ?
O2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C12 O4 124.2(3) . . ?
O3 C12 C9 123.6(3) . . ?
O4 C12 C9 111.9(3) . . ?
O4 C13 H13A 109.5 . . ?
O4 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O4 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 120.3(3) . . ?
C19 C14 N1 120.0(3) . . ?
C15 C14 N1 119.8(3) . . ?
C16 C15 C14 118.5(3) . . ?
C16 C15 C20 119.8(3) . . ?
C14 C15 C20 121.7(3) . . ?
C17 C16 C15 121.5(3) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C16 C17 C18 120.1(3) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C19 120.9(3) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C18 C19 C14 118.7(3) . . ?
C18 C19 C23 119.4(3) . . ?
C14 C19 C23 121.9(3) . . ?
C15 C20 C21 111.7(3) . . ?
C15 C20 C22 111.1(3) . . ?
C21 C20 C22 109.7(3) . . ?
C15 C20 H20 108.0 . . ?
C21 C20 H20 108.0 . . ?
C22 C20 H20 108.0 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 C24 112.5(3) . . ?
C19 C23 C25 111.3(3) . . ?
C24 C23 C25 110.0(3) . . ?
C19 C23 H23 107.6 . . ?
C24 C23 H23 107.6 . . ?
C25 C23 H23 107.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N2 C26 C6 119.8(3) . . ?
N2 C26 H26 120.1 . . ?
C6 C26 H26 120.1 . . ?
C28 C27 C32 121.6(3) . . ?
C28 C27 N2 120.1(3) . . ?
C32 C27 N2 118.0(3) . . ?
C29 C28 C27 117.8(3) . . ?
C29 C28 C33 119.7(3) . . ?
C27 C28 C33 122.4(3) . . ?
C30 C29 C28 121.9(3) . . ?
C30 C29 H29 119.1 . . ?
C28 C29 H29 119.1 . . ?
C29 C30 C31 119.5(3) . . ?
C29 C30 H30 120.3 . . ?
C31 C30 H30 120.3 . . ?
C30 C31 C32 121.3(3) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 H31 119.3 . . ?
C31 C32 C27 117.8(3) . . ?
C31 C32 C36 120.7(3) . . ?
C27 C32 C36 121.5(3) . . ?
C35 C33 C28 111.5(3) . . ?
C35 C33 C34 110.4(3) . . ?
C28 C33 C34 110.7(3) . . ?
C35 C33 H33 108.0 . . ?
C28 C33 H33 108.0 . . ?
C34 C33 H33 108.0 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37A C36 C38A 123.4(11) . . ?
C37A C36 C32 117.7(8) . . ?
C38A C36 C32 118.3(8) . . ?
C32 C36 C38 110.3(4) . . ?
C32 C36 C37 111.3(4) . . ?
C38 C36 C37 97.0(4) . . ?
C32 C36 H36 112.4 . . ?
C38 C36 H36 112.4 . . ?
C37 C36 H36 112.4 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C37A H37D 109.5 . . ?
C36 C37A H37E 109.5 . . ?
H37D C37A H37E 109.5 . . ?
C36 C37A H37F 109.5 . . ?
H37D C37A H37F 109.5 . . ?
H37E C37A H37F 109.5 . . ?
C36 C38A H38D 109.5 . . ?
C36 C38A H38E 109.5 . . ?
H38D C38A H38E 109.5 . . ?
C36 C38A H38F 109.5 . . ?
H38D C38A H38F 109.5 . . ?
H38E C38A H38F 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 N1 2.050(2) . ?
Sb1 C1 2.137(3) . ?
Sb1 C9 2.203(3) . ?
O1 C10 1.206(4) . ?
N1 C14 1.416(4) . ?
N1 C7 1.457(4) . ?
C1 C6 1.382(4) . ?
C1 C2 1.389(4) . ?
O2 C10 1.333(4) . ?
O2 C11 1.451(4) . ?
N2 C26 1.265(4) . ?
N2 C27 1.428(4) . ?
C2 C3 1.382(4) . ?
C2 C7 1.539(4) . ?
C3 C4 1.392(5) . ?
C3 H3 0.9500 . ?
O3 C12 1.197(4) . ?
C4 C5 1.378(5) . ?
C4 H4 0.9500 . ?
O4 C12 1.331(4) . ?
O4 C13 1.450(4) . ?
C5 C6 1.398(4) . ?
C5 H5 0.9500 . ?
C6 C26 1.476(4) . ?
C7 C8 1.555(4) . ?
C7 H7 1.0000 . ?
C8 C9 1.331(4) . ?
C8 C10 1.482(4) . ?
C9 C12 1.479(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C19 1.404(4) . ?
C14 C15 1.411(4) . ?
C15 C16 1.396(4) . ?
C15 C20 1.511(5) . ?
C16 C17 1.362(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.394(4) . ?
C18 H18 0.9500 . ?
C19 C23 1.513(4) . ?
C20 C21 1.520(5) . ?
C20 C22 1.525(5) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.517(5) . ?
C23 C25 1.523(5) . ?
C23 H23 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 0.9500 . ?
C27 C28 1.392(4) . ?
C27 C32 1.408(4) . ?
C28 C29 1.389(4) . ?
C28 C33 1.523(4) . ?
C29 C30 1.375(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.379(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.392(5) . ?
C31 H31 0.9500 . ?
C32 C36 1.512(5) . ?
C33 C35 1.521(5) . ?
C33 C34 1.525(5) . ?
C33 H33 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37A 1.254(16) . ?
C36 C38A 1.266(15) . ?
C36 C38 1.608(8) . ?
C36 C37 1.618(9) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C37A H37D 0.9800 . ?
C37A H37E 0.9800 . ?
C37A H37F 0.9800 . ?
C38A H38D 0.9800 . ?
C38A H38E 0.9800 . ?
C38A H38F 0.9800 . ?
