#------------------------------------------------------------------------------
#$Date: 2022-07-05 01:48:53 +0300 (Tue, 05 Jul 2022) $
#$Revision: 276549 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/06/7710675.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_7710675
loop_
_publ_author_name
'Moaven, Shiva'
'Villanueva, Olivia'
'Unruh, Daniel K.'
'Cozzolino, Anthony Frank'
_publ_section_title
;
 The complicating role of pnictogen bond formation in the solution-phase
 and solid-state structures of the heavier pnictogen atranes.
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01377K
_journal_year                    2022
_chemical_formula_sum            'C27 H54 N3 O9 Sb3'
_chemical_formula_weight         929.98
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_date             2018-09-10T09:52:12-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-04-26 deposited with the CCDC.	2022-07-01 downloaded from the CCDC.
;
_cell_angle_alpha                118.198(6)
_cell_angle_beta                 107.187(6)
_cell_angle_gamma                101.120(4)
_cell_formula_units_Z            2
_cell_length_a                   12.661(3)
_cell_length_b                   13.388(4)
_cell_length_c                   13.591(6)
_cell_measurement_reflns_used    4835
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.78
_cell_measurement_theta_min      2.62
_cell_volume                     1782.0(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.066
_diffrn_reflns_av_unetI/netI     0.0824
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            27274
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.545
_diffrn_reflns_theta_min         1.901
_exptl_absorpt_coefficient_mu    2.307
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_description       plate
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.085
_exptl_crystal_size_mid          0.065
_exptl_crystal_size_min          0.015
_refine_diff_density_max         0.727
_refine_diff_density_min         -0.692
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6622
_refine_ls_number_restraints     387
_refine_ls_restrained_S_all      0.94
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.039
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0205P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0602
_refine_ls_wR_factor_ref         0.0678
_reflns_Friedel_coverage         0
_reflns_number_gt                4606
_reflns_number_total             6622
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01377k3.cif
_cod_data_source_block           Sb-2
_cod_original_cell_volume        1781.9(10)
_cod_database_code               7710675
_shelx_estimated_absorpt_t_min   0.828
_shelx_estimated_absorpt_t_max   0.966
loop_
_symmetry_equiv_pos_as_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 0.49632(3) 0.26503(3) 0.44404(3) 0.02314(11) Uani 1 1 d . . . . .
Sb2 Sb 0.34284(3) 0.49294(3) 0.60969(3) 0.02268(11) Uani 1 1 d . . . . .
Sb3 Sb 0.29483(3) 0.38137(3) 0.25969(3) 0.02292(11) Uani 1 1 d . . . . .
O1 O 0.3533(3) 0.1275(3) 0.3947(3) 0.0288(9) Uani 1 1 d . . . . .
O2 O 0.6127(3) 0.1914(3) 0.4757(3) 0.0297(9) Uani 1 1 d . . . . .
O3 O 0.3900(3) 0.2815(3) 0.2042(3) 0.0257(9) Uani 1 1 d . . . . .
O4 O 0.1874(3) 0.3571(3) 0.5353(3) 0.0286(9) Uani 1 1 d . . . . .
O5 O 0.3200(3) 0.6129(3) 0.7505(3) 0.0276(9) Uani 1 1 d . . . . .
O6 O 0.5187(3) 0.3483(3) 0.6205(3) 0.0238(8) Uani 1 1 d . . . . .
O7 O 0.1575(3) 0.2257(3) 0.1830(3) 0.0289(9) Uani 1 1 d . . . . .
O8 O 0.2491(3) 0.3845(3) 0.1085(3) 0.0285(9) Uani 1 1 d . . . . .
O9 O 0.2630(3) 0.5454(3) 0.5027(3) 0.0265(9) Uani 1 1 d . . . . .
N1 N 0.4463(4) 0.0823(4) 0.2242(4) 0.0266(11) Uani 1 1 d . . . . .
N2 N 0.3671(4) 0.4154(4) 0.7536(4) 0.0251(10) Uani 1 1 d . . . . .
N3 N 0.1056(4) 0.4323(4) 0.2362(4) 0.0277(11) Uani 1 1 d . . . . .
C1 C 0.3333(4) -0.0104(4) 0.1898(5) 0.0283(13) Uani 1 1 d . . . . .
H1A H 0.350714 -0.072821 0.200857 0.034 Uiso 1 1 calc R U . . .
H1B H 0.279788 -0.050555 0.102294 0.034 Uiso 1 1 calc R U . . .
C2 C 0.2709(5) 0.0458(5) 0.2668(5) 0.0318(14) Uani 1 1 d . . . . .
H2 H 0.234923 0.092052 0.239128 0.038 Uiso 1 1 calc R U . . .
C3 C 0.1719(5) -0.0533(4) 0.2511(5) 0.0375(15) Uani 1 1 d . . . . .
H3A H 0.115154 -0.109285 0.164552 0.056 Uiso 1 1 calc R U . . .
H3B H 0.131586 -0.015512 0.298769 0.056 Uiso 1 1 calc R U . . .
H3C H 0.206462 -0.097804 0.28013 0.056 Uiso 1 1 calc R U . . .
C4 C 0.5499(5) 0.0495(5) 0.2567(5) 0.0363(14) Uani 1 1 d . . . . .
H4A H 0.616989 0.099684 0.257521 0.044 Uiso 1 1 calc R U . . .
H4B H 0.528835 -0.036276 0.193596 0.044 Uiso 1 1 calc R U . . .
C5 C 0.5869(5) 0.0686(5) 0.3814(5) 0.0354(14) Uani 1 1 d . . . . .
H5 H 0.519852 0.013331 0.377187 0.042 Uiso 1 1 calc R U . . .
C6 C 0.6969(5) 0.0384(5) 0.4181(5) 0.0442(16) Uani 1 1 d . . . . .
H6A H 0.681967 -0.04292 0.352273 0.066 Uiso 1 1 calc R U . . .
H6B H 0.711712 0.041867 0.493333 0.066 Uiso 1 1 calc R U . . .
H6C H 0.765893 0.097347 0.431629 0.066 Uiso 1 1 calc R U . . .
C7 C 0.4374(5) 0.1046(4) 0.1259(5) 0.0285(13) Uani 1 1 d . . . . .
H7A H 0.417181 0.026998 0.049699 0.034 Uiso 1 1 calc R U . . .
H7B H 0.516109 0.160317 0.150578 0.034 Uiso 1 1 calc R U . . .
C8 C 0.3469(5) 0.1578(4) 0.0974(5) 0.0285(13) Uani 1 1 d . . . . .
H8 H 0.269121 0.108685 0.083451 0.034 Uiso 1 1 calc R U . . .
C9 C 0.3320(5) 0.1572(5) -0.0186(5) 0.0385(15) Uani 1 1 d . . . . .
H9A H 0.299862 0.073669 -0.089717 0.058 Uiso 1 1 calc R U . . .
H9B H 0.408797 0.201847 -0.006712 0.058 Uiso 1 1 calc R U . . .
H9C H 0.277845 0.19576 -0.032127 0.058 Uiso 1 1 calc R U . . .
C10 C 0.2522(4) 0.3079(5) 0.6854(5) 0.0311(14) Uani 1 1 d . . . . .
H10A H 0.199237 0.33158 0.722901 0.037 Uiso 1 1 calc R U . . .
H10B H 0.267421 0.243102 0.693264 0.037 Uiso 1 1 calc R U . . .
C11 C 0.1913(5) 0.2594(5) 0.5510(5) 0.0335(14) Uani 1 1 d . . . . .
H11 H 0.237287 0.219587 0.510254 0.04 Uiso 1 1 calc R U . . .
C12 C 0.0646(4) 0.1644(5) 0.4883(5) 0.0358(15) Uani 1 1 d . . . . .
H12A H 0.026768 0.135601 0.402082 0.054 Uiso 1 1 calc R U . . .
H12B H 0.019128 0.201283 0.529045 0.054 Uiso 1 1 calc R U . . .
H12C H 0.067724 0.096222 0.49414 0.054 Uiso 1 1 calc R U . . .
C13 C 0.3725(5) 0.5224(5) 0.8646(5) 0.0299(14) Uani 1 1 d . . . . .
H13A H 0.454683 0.583219 0.91754 0.036 Uiso 1 1 calc R U . . .
H13B H 0.347738 0.49564 0.912247 0.036 Uiso 1 1 calc R U . . .
C14 C 0.2918(5) 0.5807(5) 0.8275(5) 0.0301(13) Uani 1 1 d . . . . .
H14 H 0.208049 0.521371 0.781294 0.036 Uiso 1 1 calc R U . . .
C15 C 0.3051(5) 0.6960(5) 0.9413(5) 0.0365(15) Uani 1 1 d . . . . .
H15A H 0.260101 0.736364 0.915354 0.055 Uiso 1 1 calc R U . . .
H15B H 0.388517 0.750792 0.992311 0.055 Uiso 1 1 calc R U . . .
H15C H 0.275147 0.673957 0.988517 0.055 Uiso 1 1 calc R U . . .
C16 C 0.4736(4) 0.3869(5) 0.7899(5) 0.0269(13) Uani 1 1 d . . . . .
H16A H 0.466933 0.355303 0.83999 0.032 Uiso 1 1 calc R U . . .
H16B H 0.544694 0.46325 0.84248 0.032 Uiso 1 1 calc R U . . .
C17 C 0.4927(5) 0.2944(5) 0.6830(5) 0.0278(13) Uani 1 1 d . . . . .
H17 H 0.419339 0.218696 0.62486 0.033 Uiso 1 1 calc R U . . .
C18 C 0.5954(5) 0.2652(5) 0.7367(5) 0.0391(15) Uani 1 1 d . . . . .
H18A H 0.608588 0.20708 0.670452 0.059 Uiso 1 1 calc R U . . .
H18B H 0.575807 0.230457 0.779893 0.059 Uiso 1 1 calc R U . . .
H18C H 0.667021 0.339555 0.793998 0.059 Uiso 1 1 calc R U . . .
C19 C 0.0110(4) 0.3173(5) 0.1936(5) 0.0299(13) Uani 1 1 d . . . . .
H19A H -0.039103 0.272813 0.104585 0.036 Uiso 1 1 calc R U . . .
H19B H -0.039536 0.337539 0.23532 0.036 Uiso 1 1 calc R U . . .
C20 C 0.0633(5) 0.2355(5) 0.2201(5) 0.0284(13) Uani 1 1 d . . . . .
H20 H 0.096534 0.271716 0.309879 0.034 Uiso 1 1 calc R U . . .
C21 C -0.0325(5) 0.1056(4) 0.1500(5) 0.0367(15) Uani 1 1 d . . . . .
H21A H -0.062884 0.067833 0.061745 0.055 Uiso 1 1 calc R U . . .
H21B H -0.097176 0.11044 0.172704 0.055 Uiso 1 1 calc R U . . .
H21C H 0.002565 0.056948 0.171587 0.055 Uiso 1 1 calc R U . . .
C22 C 0.0887(5) 0.4474(5) 0.1328(5) 0.0372(15) Uani 1 1 d . . . . .
H22A H 0.135116 0.532391 0.166272 0.045 Uiso 1 1 calc R U . . .
H22B H 0.004521 0.429352 0.088446 0.045 Uiso 1 1 calc R U . . .
C23 C 0.1277(5) 0.3634(5) 0.0435(5) 0.0367(15) Uani 1 1 d . . . . .
H23 H 0.077175 0.278056 0.007728 0.044 Uiso 1 1 calc R U . . .
C24 C 0.1143(5) 0.3782(5) -0.0622(5) 0.0479(17) Uani 1 1 d . . . . .
H24A H 0.142626 0.324532 -0.114752 0.072 Uiso 1 1 calc R U . . .
H24B H 0.160636 0.46218 -0.028955 0.072 Uiso 1 1 calc R U . . .
H24C H 0.031061 0.357322 -0.110097 0.072 Uiso 1 1 calc R U . . .
C25 C 0.1128(5) 0.5419(5) 0.3451(5) 0.0294(13) Uani 1 1 d . . . . .
H25A H 0.035733 0.548974 0.322387 0.035 Uiso 1 1 calc R U . . .
H25B H 0.172343 0.614356 0.364208 0.035 Uiso 1 1 calc R U . . .
C26 C 0.1448(5) 0.5431(4) 0.4627(5) 0.0260(13) Uani 1 1 d . . . . .
H26 H 0.088147 0.467763 0.443443 0.031 Uiso 1 1 calc R U . . .
C27 C 0.1357(5) 0.6537(4) 0.5607(5) 0.0298(14) Uani 1 1 d . . . . .
H27A H 0.189928 0.72768 0.578579 0.045 Uiso 1 1 calc R U . . .
H27B H 0.156672 0.655209 0.635398 0.045 Uiso 1 1 calc R U . . .
H27C H 0.054851 0.648808 0.530498 0.045 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 0 '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 0.006 '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
O2 Sb1 O1 95.55(13) . . ?
O2 Sb1 O6 91.48(13) . . ?
O1 Sb1 O6 88.63(13) . . ?
O2 Sb1 N1 75.79(13) . . ?
O1 Sb1 N1 73.32(13) . . ?
O6 Sb1 N1 156.47(13) . . ?
O4 Sb2 O5 94.98(13) . . ?
O4 Sb2 O9 89.53(13) . . ?
O5 Sb2 O9 91.37(14) . . ?
O4 Sb2 N2 73.71(13) . . ?
O5 Sb2 N2 75.51(13) . . ?
O9 Sb2 N2 157.41(13) . . ?
O7 Sb3 O8 95.76(14) . . ?
O7 Sb3 O3 88.65(13) . . ?
O8 Sb3 O3 90.63(13) . . ?
O7 Sb3 N3 73.42(13) . . ?
O8 Sb3 N3 75.02(13) . . ?
O3 Sb3 N3 155.43(13) . . ?
C2 O1 Sb1 118.0(3) . . ?
C5 O2 Sb1 118.3(3) . . ?
C8 O3 Sb3 128.3(3) . . ?
C11 O4 Sb2 117.0(3) . . ?
C14 O5 Sb2 119.7(3) . . ?
C17 O6 Sb1 128.9(3) . . ?
C20 O7 Sb3 117.1(3) . . ?
C23 O8 Sb3 118.2(3) . . ?
C26 O9 Sb2 130.1(3) . . ?
C4 N1 C1 112.1(4) . . ?
C4 N1 C7 110.4(4) . . ?
C1 N1 C7 112.2(4) . . ?
C4 N1 Sb1 99.4(3) . . ?
C1 N1 Sb1 103.2(3) . . ?
C7 N1 Sb1 118.8(3) . . ?
C10 N2 C16 112.9(4) . . ?
C10 N2 C13 111.9(4) . . ?
C16 N2 C13 110.1(4) . . ?
C10 N2 Sb2 102.5(3) . . ?
C16 N2 Sb2 118.8(3) . . ?
C13 N2 Sb2 99.8(3) . . ?
C22 N3 C25 111.1(4) . . ?
C22 N3 C19 110.5(4) . . ?
C25 N3 C19 112.8(4) . . ?
C22 N3 Sb3 100.4(3) . . ?
C25 N3 Sb3 117.8(3) . . ?
C19 N3 Sb3 103.3(3) . . ?
N1 C1 C2 112.2(4) . . ?
N1 C1 H1A 109.2 . . ?
C2 C1 H1A 109.2 . . ?
N1 C1 H1B 109.2 . . ?
C2 C1 H1B 109.2 . . ?
H1A C1 H1B 107.9 . . ?
O1 C2 C1 111.0(4) . . ?
O1 C2 C3 108.7(4) . . ?
C1 C2 C3 111.0(4) . . ?
O1 C2 H2 108.7 . . ?
C1 C2 H2 108.7 . . ?
C3 C2 H2 108.7 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 C5 111.5(4) . . ?
N1 C4 H4A 109.3 . . ?
C5 C4 H4A 109.3 . . ?
N1 C4 H4B 109.3 . . ?
C5 C4 H4B 109.3 . . ?
H4A C4 H4B 108 . . ?
O2 C5 C4 111.2(4) . . ?
O2 C5 C6 109.0(4) . . ?
C4 C5 C6 112.0(5) . . ?
O2 C5 H5 108.2 . . ?
C4 C5 H5 108.2 . . ?
C6 C5 H5 108.2 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C7 C8 116.0(4) . . ?
N1 C7 H7A 108.3 . . ?
C8 C7 H7A 108.3 . . ?
N1 C7 H7B 108.3 . . ?
C8 C7 H7B 108.3 . . ?
H7A C7 H7B 107.4 . . ?
O3 C8 C7 107.5(4) . . ?
O3 C8 C9 110.5(4) . . ?
C7 C8 C9 110.8(4) . . ?
O3 C8 H8 109.3 . . ?
C7 C8 H8 109.3 . . ?
C9 C8 H8 109.3 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C11 112.2(4) . . ?
N2 C10 H10A 109.2 . . ?
C11 C10 H10A 109.2 . . ?
N2 C10 H10B 109.2 . . ?
C11 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
O4 C11 C10 110.8(4) . . ?
O4 C11 C12 109.5(4) . . ?
C10 C11 C12 111.1(4) . . ?
O4 C11 H11 108.4 . . ?
C10 C11 H11 108.4 . . ?
C12 C11 H11 108.4 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 C14 111.2(4) . . ?
N2 C13 H13A 109.4 . . ?
C14 C13 H13A 109.4 . . ?
N2 C13 H13B 109.4 . . ?
C14 C13 H13B 109.4 . . ?
H13A C13 H13B 108 . . ?
O5 C14 C13 110.8(4) . . ?
O5 C14 C15 108.4(4) . . ?
C13 C14 C15 111.0(4) . . ?
O5 C14 H14 108.8 . . ?
C13 C14 H14 108.8 . . ?
C15 C14 H14 108.8 . . ?
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 . . ?
N2 C16 C17 116.1(4) . . ?
N2 C16 H16A 108.3 . . ?
C17 C16 H16A 108.3 . . ?
N2 C16 H16B 108.3 . . ?
C17 C16 H16B 108.3 . . ?
H16A C16 H16B 107.4 . . ?
O6 C17 C18 111.4(4) . . ?
O6 C17 C16 108.0(4) . . ?
C18 C17 C16 108.5(4) . . ?
O6 C17 H17 109.6 . . ?
C18 C17 H17 109.6 . . ?
C16 C17 H17 109.6 . . ?
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 . . ?
N3 C19 C20 112.0(4) . . ?
N3 C19 H19A 109.2 . . ?
C20 C19 H19A 109.2 . . ?
N3 C19 H19B 109.2 . . ?
C20 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
O7 C20 C19 110.4(4) . . ?
O7 C20 C21 108.3(4) . . ?
C19 C20 C21 111.4(4) . . ?
O7 C20 H20 108.9 . . ?
C19 C20 H20 108.9 . . ?
C21 C20 H20 108.9 . . ?
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 . . ?
N3 C22 C23 111.3(4) . . ?
N3 C22 H22A 109.4 . . ?
C23 C22 H22A 109.4 . . ?
N3 C22 H22B 109.4 . . ?
C23 C22 H22B 109.4 . . ?
H22A C22 H22B 108 . . ?
O8 C23 C22 109.9(4) . . ?
O8 C23 C24 109.6(4) . . ?
C22 C23 C24 112.9(5) . . ?
O8 C23 H23 108.1 . . ?
C22 C23 H23 108.1 . . ?
C24 C23 H23 108.1 . . ?
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 . . ?
N3 C25 C26 115.7(4) . . ?
N3 C25 H25A 108.4 . . ?
C26 C25 H25A 108.4 . . ?
N3 C25 H25B 108.4 . . ?
C26 C25 H25B 108.4 . . ?
H25A C25 H25B 107.4 . . ?
O9 C26 C27 111.9(4) . . ?
O9 C26 C25 108.1(4) . . ?
C27 C26 C25 109.2(4) . . ?
O9 C26 H26 109.2 . . ?
C27 C26 H26 109.2 . . ?
C25 C26 H26 109.2 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 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 O2 1.978(3) . ?
Sb1 O1 1.987(3) . ?
Sb1 O6 2.006(3) . ?
Sb1 N1 2.586(4) . ?
Sb2 O4 1.977(3) . ?
Sb2 O5 1.981(3) . ?
Sb2 O9 1.999(3) . ?
Sb2 N2 2.585(4) . ?
Sb3 O7 1.983(3) . ?
Sb3 O8 1.986(3) . ?
Sb3 O3 2.004(3) . ?
Sb3 N3 2.587(4) . ?
O1 C2 1.413(6) . ?
O2 C5 1.417(5) . ?
O3 C8 1.435(5) . ?
O4 C11 1.429(6) . ?
O5 C14 1.413(5) . ?
O6 C17 1.416(5) . ?
O7 C20 1.430(5) . ?
O8 C23 1.420(6) . ?
O9 C26 1.422(5) . ?
N1 C4 1.473(6) . ?
N1 C1 1.476(6) . ?
N1 C7 1.479(6) . ?
N2 C10 1.478(6) . ?
N2 C16 1.480(6) . ?
N2 C13 1.481(6) . ?
N3 C22 1.473(6) . ?
N3 C25 1.473(6) . ?
N3 C19 1.475(6) . ?
C1 C2 1.502(6) . ?
C1 H1A 0.97 . ?
C1 H1B 0.97 . ?
C2 C3 1.521(6) . ?
C2 H2 0.98 . ?
C3 H3A 0.96 . ?
C3 H3B 0.96 . ?
C3 H3C 0.96 . ?
C4 C5 1.495(7) . ?
C4 H4A 0.97 . ?
C4 H4B 0.97 . ?
C5 C6 1.532(7) . ?
C5 H5 0.98 . ?
C6 H6A 0.96 . ?
C6 H6B 0.96 . ?
C6 H6C 0.96 . ?
C7 C8 1.512(6) . ?
C7 H7A 0.97 . ?
C7 H7B 0.97 . ?
C8 C9 1.526(7) . ?
C8 H8 0.98 . ?
C9 H9A 0.96 . ?
C9 H9B 0.96 . ?
C9 H9C 0.96 . ?
C10 C11 1.485(7) . ?
C10 H10A 0.97 . ?
C10 H10B 0.97 . ?
C11 C12 1.516(6) . ?
C11 H11 0.98 . ?
C12 H12A 0.96 . ?
C12 H12B 0.96 . ?
C12 H12C 0.96 . ?
C13 C14 1.510(6) . ?
C13 H13A 0.97 . ?
C13 H13B 0.97 . ?
C14 C15 1.515(6) . ?
C14 H14 0.98 . ?
C15 H15A 0.96 . ?
C15 H15B 0.96 . ?
C15 H15C 0.96 . ?
C16 C17 1.525(6) . ?
C16 H16A 0.97 . ?
C16 H16B 0.97 . ?
C17 C18 1.510(6) . ?
C17 H17 0.98 . ?
C18 H18A 0.96 . ?
C18 H18B 0.96 . ?
C18 H18C 0.96 . ?
C19 C20 1.509(6) . ?
C19 H19A 0.97 . ?
C19 H19B 0.97 . ?
C20 C21 1.530(6) . ?
C20 H20 0.98 . ?
C21 H21A 0.96 . ?
C21 H21B 0.96 . ?
C21 H21C 0.96 . ?
C22 C23 1.504(7) . ?
C22 H22A 0.97 . ?
C22 H22B 0.97 . ?
C23 C24 1.506(7) . ?
C23 H23 0.98 . ?
C24 H24A 0.96 . ?
C24 H24B 0.96 . ?
C24 H24C 0.96 . ?
C25 C26 1.520(7) . ?
C25 H25A 0.97 . ?
C25 H25B 0.97 . ?
C26 C27 1.508(6) . ?
C26 H26 0.98 . ?
C27 H27A 0.96 . ?
C27 H27B 0.96 . ?
C27 H27C 0.96 . ?
