#------------------------------------------------------------------------------
#$Date: 2022-09-14 01:51:37 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277818 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/12/7711236.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_7711236
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_moiety         'C38 H47 N2 O4 Sb'
_chemical_formula_sum            'C38 H47 N2 O4 Sb'
_chemical_formula_weight         717.52
_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   mixed
_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                91.373(2)
_cell_angle_beta                 103.932(2)
_cell_angle_gamma                104.657(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8206(4)
_cell_length_b                   10.0140(4)
_cell_length_c                   19.3579(6)
_cell_measurement_reflns_used    61486
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     1780.27(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 0.998
_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  0.0624
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            61486
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.556
_diffrn_reflns_theta_min         2.286
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.815
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6252
_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    1.339
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.333
_exptl_crystal_size_mid          0.258
_exptl_crystal_size_min          0.218
_refine_diff_density_max         1.171
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     420
_refine_ls_number_reflns         8209
_refine_ls_number_restraints     366
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0329
_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)+(0.0274P)²+2.6065P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0771
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7414
_reflns_number_total             8209
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02499c1.cif
_cod_data_source_block           ld210322Sb1
_cod_database_code               7711236
_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 0.839
;
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 0.66966(2) 0.43636(2) 0.72710(2) 0.01545(5) Uani 1 1 d . . . . .
O1 O 1.1019(2) 0.7390(3) 0.77960(13) 0.0479(6) Uani 1 1 d . . . . .
N1 N 0.7371(2) 0.3378(2) 0.81507(10) 0.0178(4) Uani 1 1 d . . . . .
C1 C 0.5764(3) 0.5208(2) 0.80272(12) 0.0153(4) Uani 1 1 d . . . . .
C2 C 0.6579(3) 0.5101(2) 0.87139(12) 0.0168(5) Uani 1 1 d . . . . .
O2 O 0.9107(2) 0.7187(2) 0.68715(11) 0.0359(5) Uani 1 1 d . . . . .
H2 H 0.532(4) 0.695(4) 0.6918(17) 0.034(9) Uiso 1 1 d . . . . .
N2 N 0.4644(2) 0.6240(2) 0.67037(11) 0.0202(4) Uani 1 1 d . . . . .
C3 C 0.6210(3) 0.5551(3) 0.93066(13) 0.0226(5) Uani 1 1 d . . . . .
H3 H 0.677552 0.550613 0.977416 0.027 Uiso 1 1 calc R U . . .
O3 O 1.1187(2) 0.6039(2) 0.94428(11) 0.0371(5) Uani 1 1 d . . . . .
C5 C 0.4189(3) 0.6171(3) 0.85295(14) 0.0217(5) Uani 1 1 d . . . . .
H5 H 0.336214 0.652633 0.847205 0.026 Uiso 1 1 calc R U . . .
C4 C 0.4995(3) 0.6070(3) 0.92079(14) 0.0246(5) Uani 1 1 d . . . . .
H4 H 0.471756 0.635957 0.961228 0.030 Uiso 1 1 calc R U . . .
O4 O 1.0179(2) 0.77897(19) 0.91879(11) 0.0320(5) Uani 1 1 d . . . . .
C26 C 0.3727(3) 0.5917(3) 0.71920(13) 0.0239(5) Uani 1 1 d . . . . .
H26A H 0.295673 0.504818 0.700538 0.029 Uiso 1 1 calc R U . . .
H26B H 0.324717 0.666795 0.722187 0.029 Uiso 1 1 calc R U . . .
C7 C 0.7865(3) 0.4503(2) 0.87273(12) 0.0181(5) Uani 1 1 d . . . . .
H7 H 0.825291 0.418853 0.920345 0.022 Uiso 1 1 calc R U . . .
C6 C 0.4578(3) 0.5753(2) 0.79256(13) 0.0171(5) Uani 1 1 d . . . . .
C32 C 0.3084(3) 0.5491(3) 0.54980(14) 0.0234(5) Uani 1 1 d . . . . .
C9 C 0.6299(3) 0.0993(2) 0.83700(13) 0.0183(5) Uani 1 1 d . . . . .
C27 C 0.3915(3) 0.6575(3) 0.60163(13) 0.0212(5) Uani 1 1 d . . . . .
C8 C 0.7496(3) 0.2010(2) 0.82590(12) 0.0162(5) Uani 1 1 d . . . . .
C31 C 0.2397(3) 0.5834(3) 0.48327(15) 0.0307(6) Uani 1 1 d . . . . .
H31 H 0.181651 0.511345 0.447508 0.037 Uiso 1 1 calc R U . . .
C10 C 0.6416(3) -0.0351(3) 0.84537(15) 0.0244(5) Uani 1 1 d . . . . .
H10 H 0.561059 -0.104239 0.852432 0.029 Uiso 1 1 calc R U . . .
C30 C 0.2545(3) 0.7190(3) 0.46850(15) 0.0344(7) Uani 1 1 d . . . . .
H30 H 0.207703 0.739871 0.422680 0.041 Uiso 1 1 calc R U . . .
C11 C 0.7689(3) -0.0701(3) 0.84360(15) 0.0257(6) Uani 1 1 d . . . . .
H11 H 0.774994 -0.162619 0.849102 0.031 Uiso 1 1 calc R U . . .
C29 C 0.3372(3) 0.8253(3) 0.52015(15) 0.0324(6) Uani 1 1 d . . . . .
H29 H 0.347159 0.918794 0.509443 0.039 Uiso 1 1 calc R U . . .
C12 C 0.8860(3) 0.0296(3) 0.83385(14) 0.0241(5) Uani 1 1 d . . . . .
H12 H 0.973006 0.005421 0.832836 0.029 Uiso 1 1 calc R U . . .
C28 C 0.4062(3) 0.7965(3) 0.58789(14) 0.0245(5) Uani 1 1 d . . . . .
C13 C 0.8789(3) 0.1662(3) 0.82541(13) 0.0202(5) Uani 1 1 d . . . . .
C36 C 0.2920(3) 0.3975(3) 0.56275(15) 0.0269(6) Uani 1 1 d . . . . .
H36 H 0.354362 0.393632 0.611407 0.032 Uiso 1 1 calc R U . . .
C14 C 0.4926(3) 0.1352(3) 0.84447(14) 0.0229(5) Uani 1 1 d . . . . .
H14 H 0.485642 0.220170 0.819240 0.027 Uiso 1 1 calc R U . . .
C38 C 0.1343(3) 0.3247(4) 0.56201(19) 0.0408(8) Uani 1 1 d . . . . .
H38A H 0.070500 0.327662 0.514912 0.061 Uiso 1 1 calc R U . . .
H38B H 0.104913 0.371950 0.598593 0.061 Uiso 1 1 calc R U . . .
H38C H 0.126731 0.228028 0.572041 0.061 Uiso 1 1 calc R U . . .
C15 C 0.5044(3) 0.1689(4) 0.92272(17) 0.0382(7) Uani 1 1 d . . . . .
H15A H 0.421555 0.203021 0.927254 0.057 Uiso 1 1 calc R U . . .
H15B H 0.595245 0.240391 0.943609 0.057 Uiso 1 1 calc R U . . .
H15C H 0.504162 0.085199 0.947928 0.057 Uiso 1 1 calc R U . . .
C37 C 0.3444(4) 0.3229(3) 0.50881(18) 0.0389(7) Uani 1 1 d . . . . .
H37A H 0.291976 0.333524 0.460234 0.058 Uiso 1 1 calc R U . . .
H37B H 0.325937 0.224200 0.516450 0.058 Uiso 1 1 calc R U . . .
H37C H 0.449049 0.363028 0.515133 0.058 Uiso 1 1 calc R U . . .
C16 C 0.3545(3) 0.0206(4) 0.81160(19) 0.0410(8) Uani 1 1 d . . . . .
H16A H 0.350236 -0.003064 0.761571 0.061 Uiso 1 1 calc R U . . .
H16B H 0.269206 0.052603 0.814016 0.061 Uiso 1 1 calc R U . . .
H16C H 0.355198 -0.061525 0.838101 0.061 Uiso 1 1 calc R U . . .
C35 C 0.4544(5) 1.0493(3) 0.63466(19) 0.0503(9) Uani 1 1 d . . . . .
H35A H 0.482315 1.090531 0.593010 0.075 Uiso 1 1 calc R U . . .
H35B H 0.504031 1.113680 0.677467 0.075 Uiso 1 1 calc R U . . .
H35C H 0.348849 1.030794 0.627390 0.075 Uiso 1 1 calc R U . . .
C18 C 1.1430(3) 0.2821(4) 0.87862(19) 0.0422(8) Uani 1 1 d . . . . .
H18A H 1.163363 0.191191 0.881651 0.063 Uiso 1 1 calc R U . . .
H18B H 1.122592 0.309534 0.923198 0.063 Uiso 1 1 calc R U . . .
H18C H 1.227722 0.350731 0.871057 0.063 Uiso 1 1 calc R U . . .
C33 C 0.4981(4) 0.9140(3) 0.64417(15) 0.0317(6) Uani 1 1 d . . . . .
H33 H 0.485364 0.883964 0.691627 0.038 Uiso 1 1 calc R U . . .
C17 C 1.0128(3) 0.2739(3) 0.81703(17) 0.0313(6) Uani 1 1 d . . . . .
H17 H 0.991040 0.366242 0.817038 0.038 Uiso 1 1 calc R U . . .
C34 C 0.6602(4) 0.9398(4) 0.64666(17) 0.0436(8) Uani 1 1 d . . . . .
H34A H 0.676073 0.967489 0.600402 0.065 Uiso 1 1 calc R U . . .
H34B H 0.690093 0.854631 0.656977 0.065 Uiso 1 1 calc R U . . .
H34C H 0.717812 1.013724 0.684192 0.065 Uiso 1 1 calc R U . . .
C19 C 1.0463(5) 0.2459(6) 0.7460(2) 0.0728(15) Uani 1 1 d . . . . .
H19A H 0.968085 0.258730 0.706651 0.109 Uiso 1 1 calc R U . . .
H19B H 1.053749 0.150443 0.741443 0.109 Uiso 1 1 calc R U . . .
H19C H 1.138702 0.310354 0.744267 0.109 Uiso 1 1 calc R U . . .
C21 C 0.8743(3) 0.5879(2) 0.78207(13) 0.0179(5) Uani 1 1 d . . . . .
C20 C 0.9003(3) 0.5678(2) 0.85125(13) 0.0178(5) Uani 1 1 d . . . . .
C24 C 1.0262(3) 0.6502(3) 0.90934(13) 0.0199(5) Uani 1 1 d . . . . .
C25 C 1.1354(4) 0.8699(3) 0.97284(17) 0.0408(8) Uani 1 1 d . . . . .
H25A H 1.228266 0.874012 0.961468 0.061 Uiso 1 1 calc R U . . .
H25B H 1.136772 0.834180 1.019624 0.061 Uiso 1 1 calc R U . . .
H25C H 1.120634 0.963044 0.974001 0.061 Uiso 1 1 calc R U . . .
C22 C 0.9749(3) 0.6902(3) 0.75170(14) 0.0240(5) Uani 1 1 d . . . . .
C23 C 1.0045(4) 0.8171(4) 0.65360(19) 0.0523(10) Uani 1 1 d . . . . .
H23A H 1.083705 0.779403 0.646768 0.078 Uiso 1 1 calc R U . . .
H23B H 1.045358 0.904417 0.684215 0.078 Uiso 1 1 calc R U . . .
H23C H 0.947869 0.833874 0.607141 0.078 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 0.0033 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 79.27(8) . . ?
N1 Sb1 C21 78.94(9) . . ?
C1 Sb1 C21 85.48(9) . . ?
C8 N1 C7 123.24(19) . . ?
C8 N1 Sb1 134.22(15) . . ?
C7 N1 Sb1 102.41(14) . . ?
C6 C1 C2 121.2(2) . . ?
C6 C1 Sb1 131.20(17) . . ?
C2 C1 Sb1 107.59(17) . . ?
C3 C2 C1 120.1(2) . . ?
C3 C2 C7 125.7(2) . . ?
C1 C2 C7 114.2(2) . . ?
C22 O2 C23 115.0(2) . . ?
C27 N2 C26 114.0(2) . . ?
C27 N2 H2 110(2) . . ?
C26 N2 H2 104(2) . . ?
C2 C3 C4 119.0(2) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C4 C5 C6 120.6(2) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C4 C3 120.8(2) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C24 O4 C25 116.2(2) . . ?
N2 C26 C6 111.8(2) . . ?
N2 C26 H26A 109.3 . . ?
C6 C26 H26A 109.3 . . ?
N2 C26 H26B 109.3 . . ?
C6 C26 H26B 109.3 . . ?
H26A C26 H26B 107.9 . . ?
N1 C7 C2 106.81(19) . . ?
N1 C7 C20 107.15(19) . . ?
C2 C7 C20 104.87(18) . . ?
N1 C7 H7 112.5 . . ?
C2 C7 H7 112.5 . . ?
C20 C7 H7 112.5 . . ?
C1 C6 C5 118.3(2) . . ?
C1 C6 C26 121.7(2) . . ?
C5 C6 C26 120.0(2) . . ?
C31 C32 C27 117.9(3) . . ?
C31 C32 C36 119.3(2) . . ?
C27 C32 C36 122.8(2) . . ?
C10 C9 C8 119.0(2) . . ?
C10 C9 C14 119.3(2) . . ?
C8 C9 C14 121.6(2) . . ?
C32 C27 C28 121.5(2) . . ?
C32 C27 N2 118.7(2) . . ?
C28 C27 N2 119.8(2) . . ?
C13 C8 C9 119.8(2) . . ?
C13 C8 N1 120.8(2) . . ?
C9 C8 N1 119.4(2) . . ?
C30 C31 C32 121.4(3) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 H31 119.3 . . ?
C11 C10 C9 121.1(2) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C31 C30 C29 120.2(3) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C12 C11 C10 119.7(2) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C30 C29 C28 120.7(3) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C11 C12 C13 121.0(2) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C29 C28 C27 118.3(3) . . ?
C29 C28 C33 120.3(3) . . ?
C27 C28 C33 121.4(2) . . ?
C12 C13 C8 119.3(2) . . ?
C12 C13 C17 119.1(2) . . ?
C8 C13 C17 121.6(2) . . ?
C32 C36 C37 111.5(2) . . ?
C32 C36 C38 110.8(2) . . ?
C37 C36 C38 111.1(3) . . ?
C32 C36 H36 107.7 . . ?
C37 C36 H36 107.7 . . ?
C38 C36 H36 107.7 . . ?
C15 C14 C9 109.4(2) . . ?
C15 C14 C16 110.3(3) . . ?
C9 C14 C16 113.0(2) . . ?
C15 C14 H14 108.0 . . ?
C9 C14 H14 108.0 . . ?
C16 C14 H14 108.0 . . ?
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 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
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 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C28 C33 C35 114.1(3) . . ?
C28 C33 C34 110.6(3) . . ?
C35 C33 C34 109.6(3) . . ?
C28 C33 H33 107.4 . . ?
C35 C33 H33 107.4 . . ?
C34 C33 H33 107.4 . . ?
C18 C17 C13 111.5(2) . . ?
C18 C17 C19 110.8(3) . . ?
C13 C17 C19 111.2(3) . . ?
C18 C17 H17 107.7 . . ?
C13 C17 H17 107.7 . . ?
C19 C17 H17 107.7 . . ?
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 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C20 C21 C22 123.3(2) . . ?
C20 C21 Sb1 107.50(17) . . ?
C22 C21 Sb1 129.14(17) . . ?
C21 C20 C24 126.1(2) . . ?
C21 C20 C7 116.0(2) . . ?
C24 C20 C7 117.9(2) . . ?
O3 C24 O4 124.7(2) . . ?
O3 C24 C20 124.3(2) . . ?
O4 C24 C20 111.0(2) . . ?
O4 C25 H25A 109.5 . . ?
O4 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O4 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O1 C22 O2 122.8(3) . . ?
O1 C22 C21 124.9(2) . . ?
O2 C22 C21 112.2(2) . . ?
O2 C23 H23A 109.5 . . ?
O2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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 2.0448(19) . ?
Sb1 C1 2.162(2) . ?
Sb1 C21 2.196(2) . ?
O1 C22 1.200(3) . ?
N1 C8 1.422(3) . ?
N1 C7 1.468(3) . ?
C1 C6 1.381(3) . ?
C1 C2 1.399(3) . ?
C2 C3 1.382(3) . ?
C2 C7 1.524(3) . ?
O2 C22 1.330(3) . ?
O2 C23 1.449(3) . ?
N2 C27 1.442(3) . ?
N2 C26 1.445(3) . ?
N2 H2 0.86(4) . ?
C3 C4 1.393(4) . ?
C3 H3 0.9500 . ?
O3 C24 1.195(3) . ?
C5 C4 1.381(4) . ?
C5 C6 1.400(3) . ?
C5 H5 0.9500 . ?
C4 H4 0.9500 . ?
O4 C24 1.324(3) . ?
O4 C25 1.448(3) . ?
C26 C6 1.501(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C7 C20 1.545(3) . ?
C7 H7 1.0000 . ?
C32 C31 1.397(4) . ?
C32 C27 1.398(4) . ?
C32 C36 1.520(4) . ?
C9 C10 1.389(3) . ?
C9 C8 1.411(3) . ?
C9 C14 1.518(3) . ?
C27 C28 1.402(4) . ?
C8 C13 1.401(3) . ?
C31 C30 1.374(4) . ?
C31 H31 0.9500 . ?
C10 C11 1.389(4) . ?
C10 H10 0.9500 . ?
C30 C29 1.383(4) . ?
C30 H30 0.9500 . ?
C11 C12 1.374(4) . ?
C11 H11 0.9500 . ?
C29 C28 1.397(4) . ?
C29 H29 0.9500 . ?
C12 C13 1.399(3) . ?
C12 H12 0.9500 . ?
C28 C33 1.521(4) . ?
C13 C17 1.520(4) . ?
C36 C37 1.526(4) . ?
C36 C38 1.531(4) . ?
C36 H36 1.0000 . ?
C14 C15 1.514(4) . ?
C14 C16 1.525(4) . ?
C14 H14 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C35 C33 1.523(4) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C18 C17 1.507(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C33 C34 1.535(5) . ?
C33 H33 1.0000 . ?
C17 C19 1.524(5) . ?
C17 H17 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C21 C20 1.332(3) . ?
C21 C22 1.472(3) . ?
C20 C24 1.498(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
