# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2004

data_global

_journal_coden_Cambridge         182

loop_
_publ_author_name
'Tracy Hanna'
'Lihua Liu'
'Arnold L. Rheingold'
'Lev N. Zakharov'

_publ_contact_author_name        'Prof Tracy Hanna'
_publ_contact_author_address     
;
Department of Chemistry
Texas Christian University
Campus Box 298860
Fort Worth
TX
76129
UNITED STATES OF AMERICA
;

_publ_contact_author_email       T.HANNA@TCU.EDU

_publ_requested_journal          'Chemical Communications'

_publ_section_title              
;
Synthesis and X-ray Crystal Structures of the First
Antimony and Bismuth Calixarene Complexes
;

data_tcu40
_database_code_depnum_ccdc_archive 'CCDC 236034'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H50 Cl O5 Sb'
_chemical_formula_weight         695.94

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7320(10)
_cell_length_b                   11.6398(11)
_cell_length_c                   13.9850(13)
_cell_angle_alpha                87.294(2)
_cell_angle_beta                 72.4960(10)
_cell_angle_gamma                83.2520(10)
_cell_volume                     1654.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5759
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      27.50

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             724
_exptl_absorpt_coefficient_mu    0.953
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.891
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14108
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0301
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         27.51
_reflns_number_total             7286
_reflns_number_gt                6745
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0645P)^2^+1.1767P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7286
_refine_ls_number_parameters     505
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0341
_refine_ls_wR_factor_ref         0.0928
_refine_ls_wR_factor_gt          0.0908
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.649974(14) 0.576961(13) 0.485416(11) 0.01538(7) Uani 1 1 d . . .
Cl1 Cl 0.68211(6) 0.70826(5) 0.60310(5) 0.02300(13) Uani 1 1 d . . .
O1 O 0.53724(16) 0.43470(14) 0.42778(12) 0.0161(3) Uani 1 1 d . . .
O2 O 0.70693(16) 0.43651(14) 0.55457(12) 0.0170(3) Uani 1 1 d . . .
O3 O 0.90778(18) 0.56027(18) 0.41332(15) 0.0294(4) Uani 1 1 d . . .
O4 O 0.4844(4) 0.6727(3) 0.0308(2) 0.0737(10) Uani 1 1 d . . .
O5 O 0.0493(3) 0.0604(2) 0.2699(2) 0.0561(7) Uani 1 1 d . A .
C1 C 0.5995(2) 0.4332(2) 0.24908(18) 0.0170(4) Uani 1 1 d . . .
C2 C 0.6910(2) 0.3949(2) 0.15959(18) 0.0189(5) Uani 1 1 d . . .
C3 C 0.7952(2) 0.3103(2) 0.15842(18) 0.0191(5) Uani 1 1 d . . .
C4 C 0.8024(2) 0.2610(2) 0.24957(18) 0.0185(5) Uani 1 1 d . . .
C5 C 0.7131(2) 0.2969(2) 0.34135(17) 0.0164(4) Uani 1 1 d . . .
C6 C 0.6141(2) 0.3853(2) 0.33915(17) 0.0162(4) Uani 1 1 d . . .
C7 C 0.9030(3) 0.2726(2) 0.06176(18) 0.0220(5) Uani 1 1 d . . .
C8 C 0.8815(3) 0.3376(3) -0.0306(2) 0.0341(7) Uani 1 1 d . . .
C9 C 1.0368(3) 0.2973(3) 0.0711(2) 0.0344(7) Uani 1 1 d . . .
C10 C 0.9073(3) 0.1427(3) 0.0464(2) 0.0309(6) Uani 1 1 d . . .
C11 C 0.7335(2) 0.2393(2) 0.43694(17) 0.0183(5) Uani 1 1 d . . .
C12 C 0.6268(2) 0.2578(2) 0.53655(18) 0.0167(5) Uani 1 1 d . . .
C13 C 0.5378(2) 0.1780(2) 0.57471(18) 0.0174(5) Uani 1 1 d . . .
C14 C 0.4416(2) 0.1907(2) 0.66892(18) 0.0183(5) Uani 1 1 d . . .
C15 C 0.4401(2) 0.2875(2) 0.72382(18) 0.0183(5) Uani 1 1 d . . .
C16 C 0.5270(2) 0.3713(2) 0.68824(17) 0.0167(5) Uani 1 1 d . . .
C17 C 0.6207(2) 0.3559(2) 0.59391(17) 0.0156(4) Uani 1 1 d . . .
C18 C 0.3437(3) 0.1007(2) 0.70580(19) 0.0220(5) Uani 1 1 d . . .
C19 C 0.2471(4) 0.1310(3) 0.8091(2) 0.0362(7) Uani 1 1 d . . .
C20 C 0.4169(3) -0.0190(3) 0.7119(2) 0.0298(6) Uani 1 1 d . . .
C21 C 0.2627(3) 0.0975(3) 0.6323(2) 0.0287(6) Uani 1 1 d . . .
C22 C 0.5158(2) 0.4770(2) 0.75050(18) 0.0180(5) Uani 1 1 d . . .
C23 C 1.0003(3) 0.6403(3) 0.4157(2) 0.0284(6) Uani 1 1 d . . .
C24 C 1.0919(3) 0.6420(3) 0.3097(2) 0.0335(7) Uani 1 1 d . . .
C25 C 1.0995(3) 0.5187(3) 0.2770(2) 0.0328(6) Uani 1 1 d . . .
C26 C 0.9596(3) 0.4910(3) 0.3246(2) 0.0340(7) Uani 1 1 d . . .
C27 C 0.4638(5) 0.7941(4) 0.0373(3) 0.0637(12) Uani 1 1 d . . .
H27A H 0.4777 0.8192 0.0996 0.076 Uiso 1 1 calc R . .
H27B H 0.3727 0.8221 0.0381 0.076 Uiso 1 1 calc R . .
C28 C 0.5612(8) 0.8426(5) -0.0537(4) 0.102(2) Uani 1 1 d . . .
H28A H 0.5170 0.9047 -0.0867 0.122 Uiso 1 1 calc R . .
H28B H 0.6322 0.8740 -0.0347 0.122 Uiso 1 1 calc R . .
C29 C 0.6139(5) 0.7421(4) -0.1202(3) 0.0572(11) Uani 1 1 d . . .
H29A H 0.7068 0.7469 -0.1595 0.069 Uiso 1 1 calc R . .
H29B H 0.5615 0.7358 -0.1668 0.069 Uiso 1 1 calc R . .
C30 C 0.6012(4) 0.6429(4) -0.0478(3) 0.0494(9) Uani 1 1 d . . .
H30A H 0.5954 0.5710 -0.0804 0.059 Uiso 1 1 calc R . .
H30B H 0.6779 0.6310 -0.0216 0.059 Uiso 1 1 calc R . .
C31 C 0.0786(4) 0.0940(5) 0.3573(4) 0.0648(13) Uani 1 1 d . . .
C32 C 0.2054(7) 0.0273(7) 0.3610(5) 0.0356(19) Uiso 0.502(13) 1 d P A 1
C33 C 0.1939(8) -0.0824(7) 0.3152(6) 0.045(2) Uiso 0.502(13) 1 d P A 1
C32A C 0.1731(9) -0.0195(8) 0.3753(6) 0.047(2) Uiso 0.498(13) 1 d P A 2
C33A C 0.2486(8) -0.0504(7) 0.2670(6) 0.043(2) Uiso 0.498(13) 1 d P A 2
C34 C 0.1373(5) -0.0346(4) 0.2234(4) 0.0613(12) Uani 1 1 d . . .
H11B H 0.752(3) 0.156(2) 0.423(2) 0.014(7) Uiso 1 1 d . . .
H4 H 0.876(3) 0.197(3) 0.255(2) 0.016(7) Uiso 1 1 d . . .
H22A H 0.594(3) 0.516(3) 0.734(2) 0.017(7) Uiso 1 1 d . . .
H2 H 0.679(3) 0.431(3) 0.099(2) 0.017(7) Uiso 1 1 d . . .
H23B H 1.048(4) 0.614(3) 0.459(3) 0.036(9) Uiso 1 1 d . . .
H23A H 0.949(3) 0.716(3) 0.444(2) 0.026(8) Uiso 1 1 d . . .
H22B H 0.512(3) 0.450(3) 0.808(3) 0.023(8) Uiso 1 1 d . . .
H15 H 0.377(3) 0.302(3) 0.786(2) 0.019(7) Uiso 1 1 d . . .
H11A H 0.824(3) 0.265(3) 0.441(3) 0.031(9) Uiso 1 1 d . . .
H13 H 0.539(3) 0.110(3) 0.540(2) 0.013(6) Uiso 1 1 d . . .
H8C H 0.880(4) 0.428(3) -0.026(3) 0.039(9) Uiso 1 1 d . . .
H24B H 1.054(3) 0.688(3) 0.272(3) 0.030(9) Uiso 1 1 d . . .
H21C H 0.216(3) 0.170(3) 0.630(3) 0.028(8) Uiso 1 1 d . . .
H21B H 0.206(4) 0.046(3) 0.655(3) 0.041(10) Uiso 1 1 d . . .
H24A H 1.172(4) 0.665(3) 0.308(3) 0.033(9) Uiso 1 1 d . . .
H8B H 0.798(4) 0.323(3) -0.044(3) 0.041(10) Uiso 1 1 d . . .
H20C H 0.473(3) -0.047(3) 0.647(3) 0.026(8) Uiso 1 1 d . . .
H19C H 0.193(4) 0.072(3) 0.826(3) 0.035(9) Uiso 1 1 d . . .
H26B H 0.951(4) 0.412(3) 0.346(3) 0.041(10) Uiso 1 1 d . . .
H25B H 1.161(4) 0.470(3) 0.305(3) 0.035(9) Uiso 1 1 d . . .
H20B H 0.474(4) -0.021(3) 0.751(3) 0.044(10) Uiso 1 1 d . . .
H8A H 0.948(3) 0.317(3) -0.085(3) 0.032(9) Uiso 1 1 d . . .
H25A H 1.128(4) 0.506(3) 0.201(3) 0.040(10) Uiso 1 1 d . . .
H9C H 1.065(4) 0.251(3) 0.128(3) 0.042(10) Uiso 1 1 d . . .
H19B H 0.297(4) 0.128(3) 0.850(3) 0.047(11) Uiso 1 1 d . . .
H21A H 0.323(4) 0.072(3) 0.563(3) 0.043(10) Uiso 1 1 d . . .
H20A H 0.363(4) -0.083(3) 0.733(3) 0.042(10) Uiso 1 1 d . . .
H10C H 0.928(3) 0.097(3) 0.101(3) 0.030(8) Uiso 1 1 d . . .
H10B H 0.837(4) 0.118(3) 0.041(3) 0.040(11) Uiso 1 1 d . . .
H9B H 1.117(4) 0.272(4) 0.008(4) 0.060(13) Uiso 1 1 d . . .
H19A H 0.194(4) 0.209(4) 0.813(3) 0.048(11) Uiso 1 1 d . . .
H26A H 0.899(4) 0.516(3) 0.285(3) 0.039(10) Uiso 1 1 d . . .
H9A H 1.037(4) 0.387(3) 0.079(3) 0.043(10) Uiso 1 1 d . . .
H10A H 0.975(4) 0.114(4) -0.016(3) 0.052(11) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Sb1 0.01507(10) 0.01759(10) 0.01220(9) 0.00048(6) -0.00236(6) -0.00146(6)
Cl1 0.0276(3) 0.0228(3) 0.0193(3) -0.0020(2) -0.0066(2) -0.0059(2)
O1 0.0144(8) 0.0192(8) 0.0127(8) -0.0021(6) -0.0015(6) -0.0001(6)
O2 0.0153(8) 0.0187(8) 0.0161(8) 0.0026(6) -0.0040(6) -0.0018(6)
O3 0.0189(9) 0.0359(11) 0.0309(11) -0.0037(8) -0.0019(8) -0.0065(8)
O4 0.099(3) 0.071(2) 0.0374(16) 0.0136(14) -0.0074(16) 0.0056(18)
O5 0.0557(16) 0.0514(16) 0.0696(19) -0.0073(14) -0.0388(15) 0.0171(13)
C1 0.0195(11) 0.0155(11) 0.0155(11) -0.0018(9) -0.0042(9) -0.0018(9)
C2 0.0230(12) 0.0202(12) 0.0124(11) -0.0003(9) -0.0032(9) -0.0039(9)
C3 0.0216(12) 0.0189(12) 0.0139(11) -0.0023(9) -0.0005(9) -0.0026(9)
C4 0.0187(11) 0.0176(11) 0.0165(11) -0.0016(9) -0.0015(9) -0.0007(9)
C5 0.0164(11) 0.0179(11) 0.0134(11) -0.0003(9) -0.0017(8) -0.0031(9)
C6 0.0150(11) 0.0193(11) 0.0132(11) -0.0028(9) -0.0016(8) -0.0022(9)
C7 0.0255(13) 0.0217(12) 0.0138(11) -0.0017(9) 0.0009(9) 0.0000(10)
C8 0.0413(18) 0.0358(17) 0.0147(13) 0.0005(11) 0.0035(12) 0.0064(13)
C9 0.0277(15) 0.0466(19) 0.0226(14) -0.0046(13) 0.0032(11) -0.0060(13)
C10 0.0391(17) 0.0247(14) 0.0215(14) -0.0068(11) 0.0011(12) 0.0011(12)
C11 0.0184(11) 0.0204(12) 0.0126(11) -0.0006(9) -0.0008(9) 0.0022(9)
C12 0.0151(11) 0.0199(12) 0.0134(11) 0.0010(9) -0.0033(8) 0.0024(9)
C13 0.0190(11) 0.0166(11) 0.0149(11) -0.0011(9) -0.0036(9) 0.0017(9)
C14 0.0186(11) 0.0180(11) 0.0153(11) 0.0022(9) -0.0018(9) -0.0003(9)
C15 0.0195(11) 0.0213(12) 0.0113(11) 0.0009(9) -0.0017(9) 0.0008(9)
C16 0.0184(11) 0.0194(11) 0.0122(11) 0.0001(9) -0.0056(9) 0.0016(9)
C17 0.0143(10) 0.0189(11) 0.0129(10) 0.0021(8) -0.0041(8) 0.0003(8)
C18 0.0222(12) 0.0220(12) 0.0181(12) 0.0000(9) 0.0003(9) -0.0051(10)
C19 0.0375(17) 0.0370(17) 0.0261(15) -0.0041(13) 0.0083(13) -0.0171(14)
C20 0.0315(15) 0.0234(14) 0.0348(16) 0.0077(12) -0.0100(13) -0.0068(11)
C21 0.0244(14) 0.0286(15) 0.0346(16) 0.0028(12) -0.0092(12) -0.0088(12)
C22 0.0204(12) 0.0217(12) 0.0123(11) -0.0002(9) -0.0055(9) -0.0013(9)
C23 0.0248(14) 0.0343(16) 0.0288(14) 0.0039(12) -0.0115(11) -0.0068(11)
C24 0.0298(15) 0.0433(18) 0.0304(15) 0.0143(13) -0.0123(12) -0.0131(13)
C25 0.0237(14) 0.0469(18) 0.0251(14) 0.0068(13) -0.0043(11) -0.0035(12)
C26 0.0253(15) 0.0398(18) 0.0344(16) -0.0062(13) -0.0036(12) -0.0050(12)
C27 0.069(3) 0.070(3) 0.049(2) -0.008(2) -0.021(2) 0.016(2)
C28 0.198(7) 0.054(3) 0.042(3) 0.010(2) -0.025(4) 0.000(4)
C29 0.065(3) 0.075(3) 0.0335(19) -0.0005(18) -0.0132(18) -0.021(2)
C30 0.054(2) 0.051(2) 0.047(2) -0.0090(17) -0.0196(18) -0.0084(17)
C31 0.047(2) 0.081(3) 0.068(3) -0.024(2) -0.030(2) 0.028(2)
C34 0.066(3) 0.046(2) 0.085(3) -0.021(2) -0.046(2) 0.0166(19)

_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
Sb1 O2 1.9882(16) . ?
Sb1 O1 2.0274(16) 2_666 ?
Sb1 Cl1 2.4220(6) . ?
Sb1 O1 2.4574(17) . ?
O1 C6 1.374(3) . ?
O1 Sb1 2.0274(16) 2_666 ?
O2 C17 1.374(3) . ?
O3 C26 1.440(4) . ?
O3 C23 1.447(3) . ?
O4 C27 1.408(6) . ?
O4 C30 1.415(5) . ?
O5 C34 1.410(5) . ?
O5 C31 1.432(5) . ?
C1 C2 1.393(3) . ?
C1 C6 1.398(3) . ?
C1 C22 1.522(3) 2_666 ?
C2 C3 1.397(4) . ?
C2 H2 0.96(3) . ?
C3 C4 1.393(3) . ?
C3 C7 1.534(3) . ?
C4 C5 1.399(3) . ?
C4 H4 1.03(3) . ?
C5 C6 1.396(3) . ?
C5 C11 1.530(3) . ?
C7 C8 1.530(4) . ?
C7 C10 1.531(4) . ?
C7 C9 1.541(4) . ?
C8 H8C 1.05(4) . ?
C8 H8B 1.01(4) . ?
C8 H8A 0.90(4) . ?
C9 H9C 1.05(4) . ?
C9 H9B 1.06(5) . ?
C9 H9A 1.05(4) . ?
C10 H10C 0.98(4) . ?
C10 H10B 0.87(4) . ?
C10 H10A 0.99(4) . ?
C11 C12 1.519(3) . ?
C11 H11B 0.99(3) . ?
C11 H11A 1.06(3) . ?
C12 C13 1.384(3) . ?
C12 C17 1.410(3) . ?
C13 C14 1.410(3) . ?
C13 H13 0.95(3) . ?
C14 C15 1.389(3) . ?
C14 C18 1.533(3) . ?
C15 C16 1.399(3) . ?
C15 H15 0.93(3) . ?
C16 C17 1.402(3) . ?
C16 C22 1.513(3) . ?
C18 C20 1.529(4) . ?
C18 C19 1.532(4) . ?
C18 C21 1.537(4) . ?
C19 H19C 0.92(4) . ?
C19 H19B 0.89(4) . ?
C19 H19A 1.01(4) . ?
C20 H20C 0.98(3) . ?
C20 H20B 0.93(4) . ?
C20 H20A 0.98(4) . ?
C21 H21C 0.94(3) . ?
C21 H21B 0.88(4) . ?
C21 H21A 1.03(4) . ?
C22 C1 1.522(3) 2_666 ?
C22 H22A 0.97(3) . ?
C22 H22B 0.84(3) . ?
C23 C24 1.513(4) . ?
C23 H23B 0.93(4) . ?
C23 H23A 1.01(3) . ?
C24 C25 1.512(5) . ?
C24 H24B 0.89(4) . ?
C24 H24A 0.92(4) . ?
C25 C26 1.514(4) . ?
C25 H25B 0.98(4) . ?
C25 H25A 1.03(4) . ?
C26 H26B 0.96(4) . ?
C26 H26A 0.99(4) . ?
C27 C28 1.518(8) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.479(7) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.490(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.499(7) . ?
C31 C32A 1.626(9) . ?
C32 C33 1.489(11) . ?
C33 C34 1.627(9) . ?
C32A C33A 1.524(12) . ?
C33A C34 1.487(8) . ?

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 88.82(7) . 2_666 ?
O2 Sb1 Cl1 93.66(5) . . ?
O1 Sb1 Cl1 90.70(5) 2_666 . ?
O2 Sb1 O1 80.72(6) . . ?
O1 Sb1 O1 65.79(7) 2_666 . ?
Cl1 Sb1 O1 155.79(4) . . ?
C6 O1 Sb1 134.05(15) . 2_666 ?
C6 O1 Sb1 111.60(13) . . ?
Sb1 O1 Sb1 114.21(7) 2_666 . ?
C17 O2 Sb1 119.81(13) . . ?
C26 O3 C23 109.4(2) . . ?
C27 O4 C30 108.0(3) . . ?
C34 O5 C31 110.8(3) . . ?
C2 C1 C6 118.4(2) . . ?
C2 C1 C22 121.2(2) . 2_666 ?
C6 C1 C22 120.4(2) . 2_666 ?
C1 C2 C3 121.6(2) . . ?
C1 C2 H2 116.2(18) . . ?
C3 C2 H2 122.2(18) . . ?
C4 C3 C2 118.1(2) . . ?
C4 C3 C7 119.2(2) . . ?
C2 C3 C7 122.7(2) . . ?
C3 C4 C5 122.4(2) . . ?
C3 C4 H4 122.8(17) . . ?
C5 C4 H4 114.8(17) . . ?
C4 C5 C6 117.5(2) . . ?
C4 C5 C11 117.7(2) . . ?
C6 C5 C11 124.7(2) . . ?
O1 C6 C5 119.0(2) . . ?
O1 C6 C1 118.7(2) . . ?
C5 C6 C1 122.0(2) . . ?
C8 C7 C3 112.2(2) . . ?
C8 C7 C10 108.7(2) . . ?
C3 C7 C10 110.1(2) . . ?
C8 C7 C9 108.4(2) . . ?
C3 C7 C9 108.9(2) . . ?
C10 C7 C9 108.6(2) . . ?
C7 C8 H8C 113(2) . . ?
C7 C8 H8B 113(2) . . ?
H8C C8 H8B 107(3) . . ?
C7 C8 H8A 110(2) . . ?
H8C C8 H8A 105(3) . . ?
H8B C8 H8A 108(3) . . ?
C7 C9 H9C 114(2) . . ?
C7 C9 H9B 113(2) . . ?
H9C C9 H9B 101(3) . . ?
C7 C9 H9A 110(2) . . ?
H9C C9 H9A 111(3) . . ?
H9B C9 H9A 107(3) . . ?
C7 C10 H10C 112(2) . . ?
C7 C10 H10B 117(3) . . ?
H10C C10 H10B 105(3) . . ?
C7 C10 H10A 113(2) . . ?
H10C C10 H10A 106(3) . . ?
H10B C10 H10A 103(4) . . ?
C12 C11 C5 120.0(2) . . ?
C12 C11 H11B 109.3(16) . . ?
C5 C11 H11B 105.5(16) . . ?
C12 C11 H11A 111.0(18) . . ?
C5 C11 H11A 105.0(18) . . ?
H11B C11 H11A 105(2) . . ?
C13 C12 C17 118.7(2) . . ?
C13 C12 C11 121.5(2) . . ?
C17 C12 C11 119.8(2) . . ?
C12 C13 C14 122.6(2) . . ?
C12 C13 H13 122.0(17) . . ?
C14 C13 H13 115.4(17) . . ?
C15 C14 C13 117.0(2) . . ?
C15 C14 C18 123.0(2) . . ?
C13 C14 C18 120.0(2) . . ?
C14 C15 C16 122.7(2) . . ?
C14 C15 H15 121.1(18) . . ?
C16 C15 H15 116.1(18) . . ?
C15 C16 C17 118.5(2) . . ?
C15 C16 C22 119.7(2) . . ?
C17 C16 C22 121.7(2) . . ?
O2 C17 C16 121.0(2) . . ?
O2 C17 C12 118.5(2) . . ?
C16 C17 C12 120.5(2) . . ?
C20 C18 C19 108.9(2) . . ?
C20 C18 C14 110.2(2) . . ?
C19 C18 C14 111.7(2) . . ?
C20 C18 C21 109.3(2) . . ?
C19 C18 C21 107.4(2) . . ?
C14 C18 C21 109.2(2) . . ?
C18 C19 H19C 106(2) . . ?
C18 C19 H19B 105(3) . . ?
H19C C19 H19B 109(3) . . ?
C18 C19 H19A 115(2) . . ?
H19C C19 H19A 111(3) . . ?
H19B C19 H19A 110(4) . . ?
C18 C20 H20C 113.0(19) . . ?
C18 C20 H20B 114(2) . . ?
H20C C20 H20B 104(3) . . ?
C18 C20 H20A 117(2) . . ?
H20C C20 H20A 100(3) . . ?
H20B C20 H20A 108(3) . . ?
C18 C21 H21C 110(2) . . ?
C18 C21 H21B 108(3) . . ?
H21C C21 H21B 108(3) . . ?
C18 C21 H21A 110(2) . . ?
H21C C21 H21A 111(3) . . ?
H21B C21 H21A 109(3) . . ?
C16 C22 C1 114.8(2) . 2_666 ?
C16 C22 H22A 114.6(17) . . ?
C1 C22 H22A 107.6(17) 2_666 . ?
C16 C22 H22B 105(2) . . ?
C1 C22 H22B 112(2) 2_666 . ?
H22A C22 H22B 102(3) . . ?
O3 C23 C24 104.8(2) . . ?
O3 C23 H23B 111(2) . . ?
C24 C23 H23B 109(2) . . ?
O3 C23 H23A 108.5(19) . . ?
C24 C23 H23A 117.8(19) . . ?
H23B C23 H23A 105(3) . . ?
C25 C24 C23 102.4(2) . . ?
C25 C24 H24B 108(2) . . ?
C23 C24 H24B 109(2) . . ?
C25 C24 H24A 114(2) . . ?
C23 C24 H24A 112(2) . . ?
H24B C24 H24A 111(3) . . ?
C24 C25 C26 101.9(3) . . ?
C24 C25 H25B 109(2) . . ?
C26 C25 H25B 111(2) . . ?
C24 C25 H25A 116(2) . . ?
C26 C25 H25A 111(2) . . ?
H25B C25 H25A 108(3) . . ?
O3 C26 C25 106.4(2) . . ?
O3 C26 H26B 107(2) . . ?
C25 C26 H26B 115(2) . . ?
O3 C26 H26A 103(2) . . ?
C25 C26 H26A 115(2) . . ?
H26B C26 H26A 110(3) . . ?
O4 C27 C28 107.5(4) . . ?
O4 C27 H27A 110.2 . . ?
C28 C27 H27A 110.2 . . ?
O4 C27 H27B 110.2 . . ?
C28 C27 H27B 110.2 . . ?
H27A C27 H27B 108.5 . . ?
C29 C28 C27 104.0(4) . . ?
C29 C28 H28A 111.0 . . ?
C27 C28 H28A 111.0 . . ?
C29 C28 H28B 111.0 . . ?
C27 C28 H28B 111.0 . . ?
H28A C28 H28B 109.0 . . ?
C28 C29 C30 102.5(3) . . ?
C28 C29 H29A 111.3 . . ?
C30 C29 H29A 111.3 . . ?
C28 C29 H29B 111.3 . . ?
C30 C29 H29B 111.3 . . ?
H29A C29 H29B 109.2 . . ?
O4 C30 C29 105.9(3) . . ?
O4 C30 H30A 110.6 . . ?
C29 C30 H30A 110.6 . . ?
O4 C30 H30B 110.6 . . ?
C29 C30 H30B 110.6 . . ?
H30A C30 H30B 108.7 . . ?
O5 C31 C32 108.5(4) . . ?
O5 C31 C32A 100.7(4) . . ?
C32 C31 C32A 24.4(3) . . ?
C33 C32 C31 99.1(6) . . ?
C32 C33 C34 101.8(6) . . ?
C33A C32A C31 100.1(6) . . ?
C34 C33A C32A 98.9(6) . . ?
O5 C34 C33A 108.7(4) . . ?
O5 C34 C33 100.3(4) . . ?
C33A C34 C33 31.4(4) . . ?

#loop_
#_geom_hbond_atom_site_label_D
#_geom_hbond_atom_site_label_H
#_geom_hbond_atom_site_label_A
#_geom_hbond_distance_DH
#_geom_hbond_distance_HA
#_geom_hbond_distance_DA
#_geom_hbond_angle_DHA
#_geom_hbond_site_symmetry_A

_diffrn_measured_fraction_theta_max 0.959
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.959
_refine_diff_density_max         1.744
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.112