# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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_1_a
_database_code_depnum_ccdc_archive 'CCDC 2355062'
loop_
_audit_author_name
_audit_author_address
'sijun cao'
;chongqing university
China
;
_audit_update_record             
;
2024-05-13 deposited with the CCDC.	2024-06-26 downloaded from the CCDC.
;
_audit_creation_date             2023-11-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl5 Sb, 2(C29 H24 P)'
_chemical_formula_sum            'C58 H48 Cl5 P2 Sb'
_chemical_formula_weight         1105.90
_chemical_absolute_configuration .
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.0922(19)
_cell_length_b                   21.053(4)
_cell_length_c                   27.752(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5896(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9991
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      20.33
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.782
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2248
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_av_unetI/netI     0.0778
_diffrn_reflns_Laue_measured_fraction_full 0.998
_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       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            92143
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.019
_diffrn_reflns_theta_max         25.019
_diffrn_reflns_theta_min         2.405
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.800
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                6681
_reflns_number_total             10367
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.613
_refine_diff_density_min         -0.375
_refine_diff_density_rms         0.068
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.05(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     782
_refine_ls_number_reflns         10367
_refine_ls_number_restraints     1193
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.0542
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0529P)²+4.9807P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1294
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.95(4)
 0.05(4)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
3. Uiso/Uaniso restraints and constraints
C16A \\sim C6 \\sim C01J \\sim C01S \\sim C1A \\sim C1D \\sim C39A \\sim C12
\\sim C1B \\sim C01G \\sim C8 \\sim C19 \\sim P0 \\sim C7 \\sim C9 \\sim C0
\\sim C11 \\sim C2A \\sim C5A \\sim C15A \\sim C01E \\sim C17 \\sim C18 \\sim
C3A \\sim C4A \\sim C14A \\sim C10A \\sim C1C \\sim C01O \\sim C13A \\sim P008
\\sim C00Q \\sim C01H \\sim C00V \\sim C16 \\sim C018 \\sim C01M \\sim C00O
\\sim C2 \\sim C5 \\sim C15 \\sim C01D \\sim C019 \\sim C013 \\sim C015 \\sim
C01A \\sim C3 \\sim C4 \\sim C14 \\sim C10 \\sim C00S \\sim C01F \\sim C01I
\\sim C00W \\sim C01N \\sim C13 \\sim C01L \\sim C01C \\sim C39 \\sim C01R:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
P008 \\sim C00O \\sim C015 \\sim C01F \\sim C01L \\sim C01I \\sim C01A \\sim
C00Q \\sim C00S \\sim C00V \\sim C00W \\sim C013 \\sim C018 \\sim C019 \\sim
C01C \\sim C01D \\sim C01H \\sim C01M \\sim C01N \\sim C01R \\sim C3 \\sim C2
\\sim C4 \\sim C5 \\sim C10 \\sim C16 \\sim C15 \\sim C14 \\sim C13: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(C00R) \\sim Ueq, Uanis(C00Y) \\sim Ueq, Uanis(C016) \\sim Ueq,
Uanis(C00X) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 P008, C00Q, C00V, C01H, C16, C018, C01M, C2, C5, C00O, C15, C01D, C019, C013,
 C3, C4, C015, C01A, C14, C10, C00S, C01N, C01F, C00W, C01I, C13, C01L, C01C,
 C01R
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C01H, P008, C00Q, C00V, C16, C018, C01M, C00O, C2, C5, C15, C01D, C019, C013,
 C015, C01A, C3, C4, C14, C10, C00S, C01F, C01I, C00W, C01N, C13, C01L, C01C,
 C39, C01R
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: P008(0.5) C00O(0.5) C015(0.5) H015(0.5) C01F(0.5) H01F(0.5)
 C01L(0.5) H01L(0.5) C01I(0.5) C01A(0.5) C00Q(0.5) C01M(0.5) H01M(0.5)
 C013(0.5) H013(0.5) C00S(0.5) H00S(0.5) C019(0.5) H019(0.5) C018(0.5)
 H018(0.5) C00W(0.5) H00W(0.5) C01C(0.5) H01E(0.5) C01H(0.5) H01A(0.5)
 H01C(0.5) C01R(0.5) H01R(0.5) C2(0.5) H2(0.5) C3(0.5) H3(0.5) C01N(0.5)
 H01N(0.5) C4(0.5) H4(0.5) C5(0.5) H5(0.5) C00V(0.5) C16(0.5) C15(0.5) H15(0.5)
 C14(0.5) H14(0.5) C13(0.5) H13(0.5) C10(0.5) H10(0.5) C01D(0.5) H01D(0.5)
 C39(0.5) H39(0.5) C6(0.5) H6(0.5) P0(0.5) C7(0.5) C8(0.5) H8A(0.5) H8B(0.5)
 C16A(0.5) C15A(0.5) H15A(0.5) C14A(0.5) H14A(0.5) C13A(0.5) H13A(0.5)
 C10A(0.5) H10A(0.5) C01E(0.5) H01H(0.5) C0(0.5) H0(0.5) C11(0.5) H11(0.5)
 C12(0.5) H12(0.5) C19(0.5) H19(0.5) C01G(0.5) H01G(0.5) C1D(0.5) H1D(0.5)
 C01J(0.5) C1A(0.5) C2A(0.5) H2A(0.5) C3A(0.5) H3A(0.5) C01O(0.5) H01O(0.5)
 C4A(0.5) H4A(0.5) C5A(0.5) H5A(0.5) C9(0.5) C17(0.5) H17(0.5) C18(0.5)
 H18(0.5) C1B(0.5) C1C(0.5) H1C(0.5) C39A(0.5) H39A(0.5) C01S(0.5) H01S(0.5)
6.a Riding coordinates:
 C1C(H1C)
6.b Secondary CH2 refined with riding coordinates:
 C00J(H00A,H00B), C01H(H01A,H01C), C8(H8A,H8B)
6.c Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00F(H00F), C00G(H00G), C00I(H00I), C00K(H00K), C00L(H00L),
 C00M(H00M), C00N(H00N), C015(H015), C01F(H01F), C01L(H01L), C00P(H00P),
 C01M(H01M), C013(H013), C00S(H00S), C019(H019), C018(H018), C00R(H00R),
 C00T(H00T), C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010),
 C011(H011), C012(H012), C014(H014), C016(H016), C017(H017), C01B(H01B),
 C01C(H01E), C01R(H01R), C1(H1), C2(H2), C3(H3), C01N(H01N), C4(H4), C5(H5),
 C15(H15), C14(H14), C13(H13), C10(H10), C01D(H01D), C39(H39), C6(H6),
 C15A(H15A), C14A(H14A), C13A(H13A), C10A(H10A), C01E(H01H), C0(H0), C11(H11),
 C12(H12), C19(H19), C01G(H01G), C1D(H1D), C2A(H2A), C3A(H3A), C01O(H01O),
 C4A(H4A), C5A(H5A), C17(H17), C18(H18), C39A(H39A), C01S(H01S)
6.d Fitted hexagon refined as free rotating group:
 C00O(C015,C01F,C01L,C01I,C01A), C00Q(C01M,C013,C00S,C019,C018), C2(C3,C01N,C4,
 C5,C00V), C16(C15,C14,C13,C10,C01D), C16A(C15A,C14A,C13A,C10A,C01E), C12(C19,
 C01G,C1D,C01J,C1A), C2A(C3A,C01O,C4A,C5A,C9)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Sb01 Sb 0.87149(6) 0.50907(3) 0.40468(2) 0.0530(2) Uani 1 1 d . . . . .
P002 P 0.6873(2) 0.75411(12) 0.64457(9) 0.0550(7) Uani 1 1 d . . . . .
Cl03 Cl 1.0587(3) 0.56905(12) 0.45234(9) 0.0700(7) Uani 1 1 d . . . . .
Cl04 Cl 0.8787(3) 0.58902(14) 0.33185(9) 0.0836(8) Uani 1 1 d . . . . .
Cl05 Cl 1.0424(3) 0.45166(16) 0.36569(11) 0.0900(9) Uani 1 1 d . . . . .
Cl06 Cl 0.6966(3) 0.44320(16) 0.35846(11) 0.0875(9) Uani 1 1 d . . . . .
Cl07 Cl 0.8757(3) 0.42458(16) 0.47259(11) 0.1024(10) Uani 1 1 d . . . . .
P008 P 0.2008(7) 0.4160(3) 0.5849(3) 0.0657(16) Uani 0.5 1 d . U P A 1
C009 C 0.7553(10) 0.6877(5) 0.6134(3) 0.057(3) Uani 1 1 d . . . . .
C00A C 0.3873(11) 0.6629(5) 0.5276(4) 0.069(3) Uani 1 1 d . . . . .
C00B C 0.4800(10) 0.7100(5) 0.5444(4) 0.067(3) Uani 1 1 d . . . . .
C00D C 0.3488(10) 0.7272(5) 0.6154(4) 0.077(3) Uani 1 1 d . . . . .
H00D H 0.333124 0.748357 0.644283 0.092 Uiso 1 1 calc R U . . .
C00E C 0.4603(9) 0.7411(4) 0.5896(4) 0.053(2) Uani 1 1 d . . . . .
C00F C 0.6869(11) 0.6296(5) 0.6134(4) 0.070(3) Uani 1 1 d . . . . .
H00F H 0.616088 0.623448 0.634289 0.084 Uiso 1 1 calc R U . . .
C00G C 0.8996(11) 0.6456(6) 0.5514(4) 0.077(3) Uani 1 1 d . . . . .
H00G H 0.970573 0.650154 0.530340 0.093 Uiso 1 1 calc R U . . .
C00H C 0.8112(10) 0.8129(5) 0.6550(3) 0.061(3) Uani 1 1 d . . . . .
C00I C 0.2761(11) 0.6506(6) 0.5566(5) 0.089(4) Uani 1 1 d . . . . .
H00I H 0.214208 0.620736 0.546451 0.107 Uiso 1 1 calc R U . . .
C00J C 0.5551(9) 0.7877(5) 0.6080(3) 0.058(3) Uani 1 1 d . . . . .
H00A H 0.507451 0.818768 0.627135 0.069 Uiso 1 1 calc R U . . .
H00B H 0.594368 0.809890 0.580901 0.069 Uiso 1 1 calc R U . . .
C00K C 0.5899(9) 0.7230(5) 0.5148(3) 0.059(3) Uani 1 1 d . . . . .
H00K H 0.650973 0.754060 0.523367 0.071 Uiso 1 1 calc R U . . .
C00L C 0.8790(14) 0.9219(6) 0.6573(4) 0.089(3) Uani 1 1 d . . . . .
H00L H 0.862132 0.964695 0.651786 0.107 Uiso 1 1 calc R U . . .
C00M C 0.2567(11) 0.6812(6) 0.5992(6) 0.093(4) Uani 1 1 d . . . . .
H00M H 0.182473 0.671900 0.617770 0.112 Uiso 1 1 calc R U . . .
C00N C 0.7838(11) 0.8777(5) 0.6475(4) 0.071(3) Uani 1 1 d . . . . .
H00N H 0.701325 0.890344 0.636037 0.086 Uiso 1 1 calc R U . . .
C00O C -0.0295(15) 0.4808(9) 0.6413(5) 0.081(3) Uani 0.5 1 d G U P B 2
C015 C -0.0150(14) 0.5224(8) 0.6798(6) 0.089(3) Uani 0.5 1 d G U P B 2
H015 H 0.053765 0.551790 0.679950 0.107 Uiso 0.5 1 calc R U P B 2
C01F C -0.1035(16) 0.5201(8) 0.7182(5) 0.093(4) Uani 0.5 1 d G U P B 2
H01F H -0.093823 0.547877 0.743974 0.111 Uiso 0.5 1 calc R U P B 2
C01L C -0.2063(15) 0.4762(10) 0.7180(5) 0.090(4) Uani 0.5 1 d G U P B 2
H01L H -0.265487 0.474586 0.743641 0.109 Uiso 0.5 1 calc R U P B 2
C01I C -0.2208(16) 0.4346(9) 0.6794(6) 0.092(4) Uani 0.5 1 d G U P B 2
C01A C -0.1323(18) 0.4369(8) 0.6411(5) 0.086(3) Uani 0.5 1 d G U P B 2
C00P C 0.8285(12) 0.5896(6) 0.5525(4) 0.080(3) Uani 1 1 d . . . . .
H00P H 0.853278 0.556541 0.532175 0.096 Uiso 1 1 calc R U . . .
C00Q C 0.312(2) 0.4364(11) 0.5413(7) 0.082(3) Uani 0.5 1 d G U P A 1
C01M C 0.446(2) 0.4266(10) 0.5497(7) 0.089(4) Uani 0.5 1 d G U P A 1
H01M H 0.475252 0.414300 0.580095 0.107 Uiso 0.5 1 calc R U P A 1
C013 C 0.5371(18) 0.4353(11) 0.5126(9) 0.094(4) Uani 0.5 1 d G U P A 1
H013 H 0.626966 0.428704 0.518246 0.113 Uiso 0.5 1 calc R U P A 1
C00S C 0.4938(19) 0.4537(12) 0.4672(8) 0.096(4) Uani 0.5 1 d G U P A 1
H00S H 0.554621 0.459439 0.442399 0.115 Uiso 0.5 1 calc R U P A 1
C019 C 0.360(2) 0.4635(12) 0.4588(7) 0.094(4) Uani 0.5 1 d G U P A 1
H019 H 0.330563 0.475772 0.428400 0.113 Uiso 0.5 1 calc R U P A 1
C018 C 0.2687(17) 0.4548(12) 0.4959(8) 0.088(4) Uani 0.5 1 d G U P A 1
H018 H 0.178848 0.461369 0.490248 0.106 Uiso 0.5 1 calc R U P A 1
C00R C 0.9995(13) 0.9033(7) 0.6753(4) 0.091(4) Uani 1 1 d . U . . .
H00R H 1.062611 0.934098 0.682388 0.109 Uiso 1 1 calc R U . . .
C00T C 0.6053(13) 0.6892(6) 0.4734(4) 0.090(4) Uani 1 1 d . . . . .
H00T H 0.678267 0.697944 0.454065 0.108 Uiso 1 1 calc R U . . .
C00U C 0.6262(12) 0.7290(5) 0.7020(3) 0.068(3) Uani 1 1 d . . . . .
C00W C -0.151(4) 0.3959(19) 0.5997(10) 0.091(4) Uani 0.5 1 d . U P B 2
H00W H -0.096083 0.395050 0.572949 0.109 Uiso 0.5 1 calc R U P B 2
C00X C 1.0288(13) 0.8420(7) 0.6829(5) 0.097(4) Uani 1 1 d . U . . .
H00X H 1.112023 0.830394 0.694295 0.116 Uiso 1 1 calc R U . . .
C00Y C 0.4095(13) 0.6308(6) 0.4849(4) 0.088(4) Uani 1 1 d . U . . .
H00Y H 0.348409 0.600811 0.474234 0.106 Uiso 1 1 calc R U . . .
C00Z C 0.5311(14) 0.7646(6) 0.7242(4) 0.095(4) Uani 1 1 d . . . . .
H00Z H 0.496677 0.800469 0.709113 0.114 Uiso 1 1 calc R U . . .
C010 C 0.7246(12) 0.5815(5) 0.5821(4) 0.071(3) Uani 1 1 d . . . . .
H010 H 0.677758 0.543453 0.581680 0.085 Uiso 1 1 calc R U . . .
C011 C 0.4854(15) 0.7464(8) 0.7705(5) 0.117(5) Uani 1 1 d . . . . .
H011 H 0.419311 0.769850 0.785610 0.140 Uiso 1 1 calc R U . . .
C012 C 0.9327(12) 0.7959(6) 0.6736(4) 0.086(4) Uani 1 1 d . . . . .
H012 H 0.950762 0.753403 0.680077 0.103 Uiso 1 1 calc R U . . .
C014 C 0.537(2) 0.6957(10) 0.7925(6) 0.143(7) Uani 1 1 d . . . . .
H014 H 0.506061 0.684341 0.822863 0.172 Uiso 1 1 calc R U . . .
C016 C 0.5182(14) 0.6425(7) 0.4587(5) 0.100(4) Uani 1 1 d . U . . .
H016 H 0.534905 0.619449 0.430736 0.119 Uiso 1 1 calc R U . . .
C017 C 0.6769(14) 0.6749(6) 0.7238(4) 0.104(5) Uani 1 1 d . . . . .
H017 H 0.737351 0.649092 0.707738 0.125 Uiso 1 1 calc R U . . .
C01B C 0.634(2) 0.6600(8) 0.7709(6) 0.141(6) Uani 1 1 d . . . . .
H01B H 0.672220 0.626078 0.787373 0.170 Uiso 1 1 calc R U . . .
C01C C -0.331(2) 0.3887(13) 0.6794(10) 0.095(4) Uani 0.5 1 d . U P B 2
H01E H -0.385237 0.386127 0.706398 0.113 Uiso 0.5 1 calc R U P B 2
C01H C 0.048(2) 0.4596(13) 0.5767(8) 0.073(4) Uani 0.5 1 d . U P A 1
H01A H 0.067609 0.504596 0.574302 0.087 Uiso 0.5 1 calc R U P A 1
H01C H 0.006909 0.446580 0.546658 0.087 Uiso 0.5 1 calc R U P A 1
C01R C -0.356(3) 0.3505(13) 0.6417(9) 0.100(4) Uani 0.5 1 d . U P B 2
H01R H -0.427971 0.322872 0.641563 0.120 Uiso 0.5 1 calc R U P B 2
C1 C 0.8642(11) 0.6956(5) 0.5822(4) 0.070(3) Uani 1 1 d . . . . .
H1 H 0.911899 0.733420 0.582048 0.084 Uiso 1 1 calc R U . . .
C2 C 0.2246(15) 0.3997(6) 0.6831(6) 0.090(3) Uani 0.5 1 d G U P A 1
H2 H 0.168850 0.364866 0.679684 0.108 Uiso 0.5 1 calc R U P A 1
C3 C 0.2674(17) 0.4181(8) 0.7286(5) 0.100(4) Uani 0.5 1 d G U P A 1
H3 H 0.240278 0.395535 0.755662 0.121 Uiso 0.5 1 calc R U P A 1
C01N C 0.3508(17) 0.4702(8) 0.7337(4) 0.099(4) Uani 0.5 1 d G U P A 1
H01N H 0.379421 0.482539 0.764143 0.119 Uiso 0.5 1 calc R U P A 1
C4 C 0.3914(15) 0.5040(7) 0.6932(6) 0.098(3) Uani 0.5 1 d G U P A 1
H4 H 0.447136 0.538874 0.696646 0.118 Uiso 0.5 1 calc R U P A 1
C5 C 0.3486(16) 0.4856(8) 0.6477(4) 0.085(3) Uani 0.5 1 d G U P A 1
H5 H 0.375709 0.508206 0.620668 0.103 Uiso 0.5 1 calc R U P A 1
C00V C 0.2652(16) 0.4335(8) 0.6426(4) 0.080(3) Uani 0.5 1 d G U P A 1
C16 C 0.1713(18) 0.3317(5) 0.5772(7) 0.087(3) Uani 0.5 1 d G U P A 1
C15 C 0.0859(16) 0.3124(7) 0.5408(6) 0.102(5) Uani 0.5 1 d G U P A 1
H15 H 0.037778 0.342433 0.523515 0.122 Uiso 0.5 1 calc R U P A 1
C14 C 0.0725(17) 0.2482(8) 0.5301(6) 0.115(5) Uani 0.5 1 d G U P A 1
H14 H 0.015374 0.235310 0.505678 0.138 Uiso 0.5 1 calc R U P A 1
C13 C 0.144(2) 0.2033(5) 0.5559(7) 0.122(5) Uani 0.5 1 d G U P A 1
H13 H 0.135446 0.160403 0.548722 0.146 Uiso 0.5 1 calc R U P A 1
C10 C 0.2298(19) 0.2226(7) 0.5923(7) 0.115(4) Uani 0.5 1 d G U P A 1
H10 H 0.277923 0.192619 0.609605 0.138 Uiso 0.5 1 calc R U P A 1
C01D C 0.2432(17) 0.2868(8) 0.6030(6) 0.103(4) Uani 0.5 1 d G U P A 1
H01D H 0.300330 0.299742 0.627443 0.123 Uiso 0.5 1 calc R U P A 1
C39 C -0.275(2) 0.3539(13) 0.6059(10) 0.096(4) Uani 0.5 1 d . U P B 2
H39 H -0.294532 0.327290 0.580107 0.115 Uiso 0.5 1 calc R U P B 2
C6 C -0.244(3) 0.4255(14) 0.6890(10) 0.093(4) Uani 0.5 1 d . U P A 1
H6 H -0.309542 0.420378 0.712339 0.112 Uiso 0.5 1 calc R U P A 1
P0 P 0.2198(6) 0.4391(3) 0.6108(3) 0.0644(16) Uani 0.5 1 d . U P B 2
C7 C 0.317(3) 0.4471(14) 0.5566(9) 0.079(3) Uani 0.5 1 d . U P B 2
C8 C 0.063(2) 0.4790(12) 0.6007(8) 0.075(4) Uani 0.5 1 d . U P B 2
H8A H 0.081762 0.522336 0.590993 0.089 Uiso 0.5 1 calc R U P B 2
H8B H 0.019290 0.458309 0.573826 0.089 Uiso 0.5 1 calc R U P B 2
C16A C 0.1916(17) 0.3591(6) 0.6261(6) 0.083(3) Uani 0.5 1 d G U P B 2
C15A C 0.2526(17) 0.3119(8) 0.5989(5) 0.103(4) Uani 0.5 1 d G U P B 2
H15A H 0.304092 0.322863 0.572383 0.124 Uiso 0.5 1 calc R U P B 2
C14A C 0.2367(19) 0.2484(7) 0.6114(6) 0.113(5) Uani 0.5 1 d G U P B 2
H14A H 0.277579 0.216912 0.593246 0.136 Uiso 0.5 1 calc R U P B 2
C13A C 0.160(2) 0.2321(6) 0.6511(7) 0.116(5) Uani 0.5 1 d G U P B 2
H13A H 0.149154 0.189632 0.659422 0.139 Uiso 0.5 1 calc R U P B 2
C10A C 0.0987(17) 0.2792(8) 0.6782(6) 0.121(6) Uani 0.5 1 d G U P B 2
H10A H 0.047243 0.268303 0.704734 0.146 Uiso 0.5 1 calc R U P B 2
C01E C 0.1146(16) 0.3427(7) 0.6657(6) 0.100(4) Uani 0.5 1 d G U P B 2
H01H H 0.073755 0.374255 0.683872 0.120 Uiso 0.5 1 calc R U P B 2
C0 C 0.254(3) 0.4448(16) 0.5104(10) 0.090(4) Uani 0.5 1 d . U P B 2
H0 H 0.161762 0.441893 0.508846 0.107 Uiso 0.5 1 calc R U P B 2
C11 C 0.451(3) 0.4488(13) 0.5546(12) 0.089(4) Uani 0.5 1 d . U P B 2
H11 H 0.497916 0.444829 0.583324 0.106 Uiso 0.5 1 calc R U P B 2
C12 C 0.0202(15) 0.5422(9) 0.6621(5) 0.087(4) Uani 0.5 1 d G U P A 1
H12 H 0.080737 0.552707 0.638093 0.104 Uiso 0.5 1 calc R U P A 1
C19 C 0.0110(15) 0.5792(7) 0.7034(6) 0.100(4) Uani 0.5 1 d G U P A 1
H19 H 0.065389 0.614541 0.707065 0.120 Uiso 0.5 1 calc R U P A 1
C01G C -0.0796(16) 0.5635(8) 0.7392(5) 0.096(4) Uani 0.5 1 d G U P A 1
H01G H -0.085721 0.588279 0.766831 0.115 Uiso 0.5 1 calc R U P A 1
C1D C -0.1609(14) 0.5107(9) 0.7337(5) 0.092(4) Uani 0.5 1 d G U P A 1
H1D H -0.221484 0.500184 0.757625 0.110 Uiso 0.5 1 calc R U P A 1
C01J C -0.1517(15) 0.4737(7) 0.6923(6) 0.089(3) Uani 0.5 1 d G U P A 1
C1A C -0.0612(17) 0.4894(8) 0.6565(5) 0.086(3) Uani 0.5 1 d G U P A 1
C2A C 0.3427(17) 0.4404(6) 0.7004(6) 0.092(3) Uani 0.5 1 d G U P B 2
H2A H 0.322357 0.397419 0.702771 0.111 Uiso 0.5 1 calc R U P B 2
C3A C 0.4083(16) 0.4708(8) 0.7379(4) 0.101(4) Uani 0.5 1 d G U P B 2
H3A H 0.431834 0.448206 0.765375 0.121 Uiso 0.5 1 calc R U P B 2
C01O C 0.4387(15) 0.5350(8) 0.7343(5) 0.098(4) Uani 0.5 1 d G U P B 2
H01O H 0.482621 0.555393 0.759404 0.118 Uiso 0.5 1 calc R U P B 2
C4A C 0.4036(16) 0.5688(6) 0.6932(6) 0.095(5) Uani 0.5 1 d G U P B 2
H4A H 0.423934 0.611793 0.690830 0.114 Uiso 0.5 1 calc R U P B 2
C5A C 0.3380(15) 0.5384(8) 0.6557(4) 0.086(4) Uani 0.5 1 d G U P B 2
H5A H 0.314458 0.561007 0.628225 0.103 Uiso 0.5 1 calc R U P B 2
C9 C 0.3076(16) 0.4742(8) 0.6593(5) 0.080(3) Uani 0.5 1 d G U P B 2
C17 C 0.328(3) 0.4469(15) 0.4663(12) 0.095(4) Uani 0.5 1 d . U P B 2
H17 H 0.287512 0.443524 0.436323 0.114 Uiso 0.5 1 calc R U P B 2
C18 C 0.521(3) 0.4558(14) 0.5141(12) 0.093(4) Uani 0.5 1 d . U P B 2
H18 H 0.611847 0.461918 0.515501 0.111 Uiso 0.5 1 calc R U P B 2
C1B C -0.054(2) 0.4492(13) 0.6188(9) 0.086(3) Uani 0.5 1 d . U P A 1
C1C C 0.458(3) 0.4539(17) 0.4707(13) 0.095(4) Uani 0.5 1 d . U P B 2
H1C H 0.505937 0.459235 0.442376 0.114 Uiso 0.5 1 d R U P B 2
C39A C -0.157(4) 0.399(2) 0.6160(10) 0.093(4) Uani 0.5 1 d . U P A 1
H39A H -0.164022 0.376065 0.587564 0.112 Uiso 0.5 1 calc R U P A 1
C01S C -0.237(3) 0.3861(14) 0.6508(10) 0.096(3) Uani 0.5 1 d . U P A 1
H01S H -0.288687 0.349678 0.649610 0.116 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
Sb01 Cl03 2.629(3) . ?
Sb01 Cl04 2.631(3) . ?
Sb01 Cl05 2.368(3) . ?
Sb01 Cl06 2.585(3) . ?
Sb01 Cl07 2.592(3) . ?
P002 C009 1.781(10) . ?
P002 C00H 1.783(11) . ?
P002 C00J 1.819(9) . ?
P002 C00U 1.790(10) . ?
P008 C00Q 1.705(18) . ?
P008 C01H 1.81(2) . ?
P008 C00V 1.768(13) . ?
P008 C16 1.813(14) . ?
C009 C00F 1.405(14) . ?
C009 C1 1.409(14) . ?
C00A C00B 1.441(14) . ?
C00A C00I 1.405(16) . ?
C00A C00Y 1.385(15) . ?
C00B C00E 1.428(14) . ?
C00B C00K 1.407(14) . ?
C00D H00D 0.9300 . ?
C00D C00E 1.366(14) . ?
C00D C00M 1.415(16) . ?
C00E C00J 1.462(12) . ?
C00F H00F 0.9300 . ?
C00F C010 1.387(14) . ?
C00G H00G 0.9300 . ?
C00G C00P 1.381(15) . ?
C00G C1 1.403(14) . ?
C00H C00N 1.408(14) . ?
C00H C012 1.378(14) . ?
C00I H00I 0.9300 . ?
C00I C00M 1.360(17) . ?
C00J H00A 0.9700 . ?
C00J H00B 0.9700 . ?
C00K H00K 0.9300 . ?
C00K C00T 1.360(14) . ?
C00L H00L 0.9300 . ?
C00L C00N 1.365(15) . ?
C00L C00R 1.371(16) . ?
C00M H00M 0.9300 . ?
C00N H00N 0.9300 . ?
C00O C015 1.3900 . ?
C00O C01A 1.3900 . ?
C00O C8 1.46(2) . ?
C015 H015 0.9300 . ?
C015 C01F 1.3900 . ?
C01F H01F 0.9300 . ?
C01F C01L 1.3900 . ?
C01L H01L 0.9300 . ?
C01L C01I 1.3900 . ?
C01I C01A 1.3900 . ?
C01I C01C 1.47(3) . ?
C01A C00W 1.45(4) . ?
C00P H00P 0.9300 . ?
C00P C010 1.343(14) . ?
C00Q C01M 1.3900 . ?
C00Q C018 1.3900 . ?
C01M H01M 0.9300 . ?
C01M C013 1.3900 . ?
C013 H013 0.9300 . ?
C013 C00S 1.3900 . ?
C00S H00S 0.9300 . ?
C00S C019 1.3900 . ?
C019 H019 0.9300 . ?
C019 C018 1.3900 . ?
C018 H018 0.9300 . ?
C00R H00R 0.9300 . ?
C00R C00X 1.341(16) . ?
C00T H00T 0.9300 . ?
C00T C016 1.380(16) . ?
C00U C00Z 1.365(16) . ?
C00U C017 1.387(15) . ?
C00W H00W 0.9300 . ?
C00W C39 1.54(5) . ?
C00X H00X 0.9300 . ?
C00X C012 1.397(16) . ?
C00Y H00Y 0.9300 . ?
C00Y C016 1.340(16) . ?
C00Z H00Z 0.9300 . ?
C00Z C011 1.418(15) . ?
C010 H010 0.9300 . ?
C011 H011 0.9300 . ?
C011 C014 1.33(2) . ?
C012 H012 0.9300 . ?
C014 H014 0.9300 . ?
C014 C01B 1.38(2) . ?
C016 H016 0.9300 . ?
C017 H017 0.9300 . ?
C017 C01B 1.412(19) . ?
C01B H01B 0.9300 . ?
C01C H01E 0.9300 . ?
C01C C01R 1.34(3) . ?
C01H H01A 0.9700 . ?
C01H H01C 0.9700 . ?
C01H C1B 1.57(3) . ?
C01R H01R 0.9300 . ?
C01R C39 1.29(3) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.3900 . ?
C2 C00V 1.3900 . ?
C3 H3 0.9300 . ?
C3 C01N 1.3900 . ?
C01N H01N 0.9300 . ?
C01N C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C00V 1.3900 . ?
C16 C15 1.3900 . ?
C16 C01D 1.3900 . ?
C15 H15 0.9300 . ?
C15 C14 1.3900 . ?
C14 H14 0.9300 . ?
C14 C13 1.3900 . ?
C13 H13 0.9300 . ?
C13 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C01D 1.3900 . ?
C01D H01D 0.9300 . ?
C39 H39 0.9300 . ?
C6 H6 0.9300 . ?
C6 C01J 1.38(3) . ?
C6 C01S 1.35(4) . ?
P0 C7 1.80(3) . ?
P0 C8 1.81(2) . ?
P0 C16A 1.761(14) . ?
P0 C9 1.771(13) . ?
C7 C0 1.43(3) . ?
C7 C11 1.36(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C16A C15A 1.3900 . ?
C16A C01E 1.3900 . ?
C15A H15A 0.9300 . ?
C15A C14A 1.3900 . ?
C14A H14A 0.9300 . ?
C14A C13A 1.3900 . ?
C13A H13A 0.9300 . ?
C13A C10A 1.3900 . ?
C10A H10A 0.9300 . ?
C10A C01E 1.3900 . ?
C01E H01H 0.9300 . ?
C0 H0 0.9300 . ?
C0 C17 1.44(3) . ?
C11 H11 0.9300 . ?
C11 C18 1.33(3) . ?
C12 H12 0.9300 . ?
C12 C19 1.3900 . ?
C12 C1A 1.3900 . ?
C19 H19 0.9300 . ?
C19 C01G 1.3900 . ?
C01G H01G 0.9300 . ?
C01G C1D 1.3900 . ?
C1D H1D 0.9300 . ?
C1D C01J 1.3900 . ?
C01J C1A 1.3900 . ?
C1A C1B 1.35(3) . ?
C2A H2A 0.9300 . ?
C2A C3A 1.3900 . ?
C2A C9 1.3900 . ?
C3A H3A 0.9300 . ?
C3A C01O 1.3900 . ?
C01O H01O 0.9300 . ?
C01O C4A 1.3900 . ?
C4A H4A 0.9300 . ?
C4A C5A 1.3900 . ?
C5A H5A 0.9300 . ?
C5A C9 1.3900 . ?
C17 H17 0.9300 . ?
C17 C1C 1.32(3) . ?
C18 H18 0.9300 . ?
C18 C1C 1.36(4) . ?
C1B C39A 1.48(5) . ?
C1C H1C 0.9300 . ?
C39A H39A 0.9300 . ?
C39A C01S 1.29(4) . ?
C01S H01S 0.9300 . ?

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
Cl03 Sb01 Cl04 93.39(9) . . ?
Cl05 Sb01 Cl03 87.22(10) . . ?
Cl05 Sb01 Cl04 87.44(12) . . ?
Cl05 Sb01 Cl06 89.82(10) . . ?
Cl05 Sb01 Cl07 88.29(12) . . ?
Cl06 Sb01 Cl03 176.16(10) . . ?
Cl06 Sb01 Cl04 88.92(10) . . ?
Cl06 Sb01 Cl07 90.21(11) . . ?
Cl07 Sb01 Cl03 87.26(10) . . ?
Cl07 Sb01 Cl04 175.64(12) . . ?
C009 P002 C00H 110.6(5) . . ?
C009 P002 C00J 108.5(4) . . ?
C009 P002 C00U 109.4(5) . . ?
C00H P002 C00J 109.6(5) . . ?
C00H P002 C00U 107.6(5) . . ?
C00U P002 C00J 111.1(5) . . ?
C00Q P008 C01H 110.2(11) . . ?
C00Q P008 C00V 110.4(10) . . ?
C00Q P008 C16 105.8(10) . . ?
C01H P008 C16 109.9(11) . . ?
C00V P008 C01H 108.7(10) . . ?
C00V P008 C16 111.7(9) . . ?
C00F C009 P002 119.6(8) . . ?
C00F C009 C1 119.0(9) . . ?
C1 C009 P002 120.4(8) . . ?
C00I C00A C00B 117.5(11) . . ?
C00Y C00A C00B 120.5(11) . . ?
C00Y C00A C00I 122.0(11) . . ?
C00E C00B C00A 120.6(10) . . ?
C00K C00B C00A 117.2(11) . . ?
C00K C00B C00E 122.3(9) . . ?
C00E C00D H00D 119.3 . . ?
C00E C00D C00M 121.4(11) . . ?
C00M C00D H00D 119.3 . . ?
C00B C00E C00J 121.5(9) . . ?
C00D C00E C00B 118.5(9) . . ?
C00D C00E C00J 119.9(10) . . ?
C009 C00F H00F 119.9 . . ?
C010 C00F C009 120.2(10) . . ?
C010 C00F H00F 119.9 . . ?
C00P C00G H00G 120.1 . . ?
C00P C00G C1 119.7(11) . . ?
C1 C00G H00G 120.1 . . ?
C00N C00H P002 120.7(8) . . ?
C012 C00H P002 120.3(9) . . ?
C012 C00H C00N 118.8(10) . . ?
C00A C00I H00I 119.2 . . ?
C00M C00I C00A 121.7(11) . . ?
C00M C00I H00I 119.2 . . ?
P002 C00J H00A 108.7 . . ?
P002 C00J H00B 108.7 . . ?
C00E C00J P002 114.4(6) . . ?
C00E C00J H00A 108.7 . . ?
C00E C00J H00B 108.7 . . ?
H00A C00J H00B 107.6 . . ?
C00B C00K H00K 120.6 . . ?
C00T C00K C00B 118.8(10) . . ?
C00T C00K H00K 120.6 . . ?
C00N C00L H00L 119.9 . . ?
C00N C00L C00R 120.2(12) . . ?
C00R C00L H00L 119.9 . . ?
C00D C00M H00M 119.8 . . ?
C00I C00M C00D 120.4(12) . . ?
C00I C00M H00M 119.8 . . ?
C00H C00N H00N 120.2 . . ?
C00L C00N C00H 119.6(11) . . ?
C00L C00N H00N 120.2 . . ?
C015 C00O C01A 120.0 . . ?
C015 C00O C8 122.8(16) . . ?
C01A C00O C8 117.1(15) . . ?
C00O C015 H015 120.0 . . ?
C01F C015 C00O 120.0 . . ?
C01F C015 H015 120.0 . . ?
C015 C01F H01F 120.0 . . ?
C01L C01F C015 120.0 . . ?
C01L C01F H01F 120.0 . . ?
C01F C01L H01L 120.0 . . ?
C01I C01L C01F 120.0 . . ?
C01I C01L H01L 120.0 . . ?
C01L C01I C01A 120.0 . . ?
C01L C01I C01C 119.5(16) . . ?
C01A C01I C01C 120.5(16) . . ?
C00O C01A C00W 119.9(18) . . ?
C01I C01A C00O 120.0 . . ?
C01I C01A C00W 120.0(18) . . ?
C00G C00P H00P 119.1 . . ?
C010 C00P C00G 121.8(11) . . ?
C010 C00P H00P 119.1 . . ?
C01M C00Q P008 119.0(13) . . ?
C01M C00Q C018 120.0 . . ?
C018 C00Q P008 120.5(13) . . ?
C00Q C01M H01M 120.0 . . ?
C00Q C01M C013 120.0 . . ?
C013 C01M H01M 120.0 . . ?
C01M C013 H013 120.0 . . ?
C00S C013 C01M 120.0 . . ?
C00S C013 H013 120.0 . . ?
C013 C00S H00S 120.0 . . ?
C019 C00S C013 120.0 . . ?
C019 C00S H00S 120.0 . . ?
C00S C019 H019 120.0 . . ?
C00S C019 C018 120.0 . . ?
C018 C019 H019 120.0 . . ?
C00Q C018 H018 120.0 . . ?
C019 C018 C00Q 120.0 . . ?
C019 C018 H018 120.0 . . ?
C00L C00R H00R 119.1 . . ?
C00X C00R C00L 121.9(13) . . ?
C00X C00R H00R 119.1 . . ?
C00K C00T H00T 118.3 . . ?
C00K C00T C016 123.4(12) . . ?
C016 C00T H00T 118.3 . . ?
C00Z C00U P002 118.7(8) . . ?
C00Z C00U C017 121.0(11) . . ?
C017 C00U P002 120.2(9) . . ?
C01A C00W H00W 124.4 . . ?
C01A C00W C39 111(2) . . ?
C39 C00W H00W 124.4 . . ?
C00R C00X H00X 120.4 . . ?
C00R C00X C012 119.1(13) . . ?
C012 C00X H00X 120.4 . . ?
C00A C00Y H00Y 119.7 . . ?
C016 C00Y C00A 120.5(12) . . ?
C016 C00Y H00Y 119.7 . . ?
C00U C00Z H00Z 120.4 . . ?
C00U C00Z C011 119.2(12) . . ?
C011 C00Z H00Z 120.4 . . ?
C00F C010 H010 119.9 . . ?
C00P C010 C00F 120.3(11) . . ?
C00P C010 H010 119.9 . . ?
C00Z C011 H011 119.8 . . ?
C014 C011 C00Z 120.3(15) . . ?
C014 C011 H011 119.8 . . ?
C00H C012 C00X 120.4(12) . . ?
C00H C012 H012 119.8 . . ?
C00X C012 H012 119.8 . . ?
C011 C014 H014 119.4 . . ?
C011 C014 C01B 121.1(15) . . ?
C01B C014 H014 119.4 . . ?
C00T C016 H016 120.3 . . ?
C00Y C016 C00T 119.5(13) . . ?
C00Y C016 H016 120.3 . . ?
C00U C017 H017 120.9 . . ?
C00U C017 C01B 118.2(13) . . ?
C01B C017 H017 120.9 . . ?
C014 C01B C017 119.9(15) . . ?
C014 C01B H01B 120.0 . . ?
C017 C01B H01B 120.0 . . ?
C01I C01C H01E 118.8 . . ?
C01R C01C C01I 122(2) . . ?
C01R C01C H01E 118.8 . . ?
P008 C01H H01A 108.9 . . ?
P008 C01H H01C 108.9 . . ?
H01A C01H H01C 107.8 . . ?
C1B C01H P008 113.2(15) . . ?
C1B C01H H01A 108.9 . . ?
C1B C01H H01C 108.9 . . ?
C01C C01R H01R 121.7 . . ?
C39 C01R C01C 117(3) . . ?
C39 C01R H01R 121.7 . . ?
C009 C1 H1 120.5 . . ?
C00G C1 C009 119.0(10) . . ?
C00G C1 H1 120.5 . . ?
C3 C2 H2 120.0 . . ?
C3 C2 C00V 120.0 . . ?
C00V C2 H2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C01N C3 C2 120.0 . . ?
C01N C3 H3 120.0 . . ?
C3 C01N H01N 120.0 . . ?
C4 C01N C3 120.0 . . ?
C4 C01N H01N 120.0 . . ?
C01N C4 H4 120.0 . . ?
C5 C4 C01N 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C00V 120.0 . . ?
C00V C5 H5 120.0 . . ?
C2 C00V P008 121.2(10) . . ?
C5 C00V P008 118.6(10) . . ?
C5 C00V C2 120.0 . . ?
C15 C16 P008 118.3(10) . . ?
C15 C16 C01D 120.0 . . ?
C01D C16 P008 121.3(10) . . ?
C16 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C13 H13 120.0 . . ?
C10 C13 C14 120.0 . . ?
C10 C13 H13 120.0 . . ?
C13 C10 H10 120.0 . . ?
C13 C10 C01D 120.0 . . ?
C01D C10 H10 120.0 . . ?
C16 C01D H01D 120.0 . . ?
C10 C01D C16 120.0 . . ?
C10 C01D H01D 120.0 . . ?
C00W C39 H39 115.4 . . ?
C01R C39 C00W 129(3) . . ?
C01R C39 H39 115.4 . . ?
C01J C6 H6 121.1 . . ?
C01S C6 H6 121.1 . . ?
C01S C6 C01J 118(2) . . ?
C7 P0 C8 107.4(12) . . ?
C16A P0 C7 112.2(12) . . ?
C16A P0 C8 109.8(11) . . ?
C16A P0 C9 107.3(9) . . ?
C9 P0 C7 108.9(11) . . ?
C9 P0 C8 111.2(10) . . ?
C0 C7 P0 120.3(19) . . ?
C11 C7 P0 125(2) . . ?
C11 C7 C0 114(2) . . ?
C00O C8 P0 116.8(15) . . ?
C00O C8 H8A 108.1 . . ?
C00O C8 H8B 108.1 . . ?
P0 C8 H8A 108.1 . . ?
P0 C8 H8B 108.1 . . ?
H8A C8 H8B 107.3 . . ?
C15A C16A P0 118.8(10) . . ?
C15A C16A C01E 120.0 . . ?
C01E C16A P0 121.2(10) . . ?
C16A C15A H15A 120.0 . . ?
C14A C15A C16A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C13A C14A C15A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C10A C13A C14A 120.0 . . ?
C10A C13A H13A 120.0 . . ?
C13A C10A H10A 120.0 . . ?
C01E C10A C13A 120.0 . . ?
C01E C10A H10A 120.0 . . ?
C16A C01E H01H 120.0 . . ?
C10A C01E C16A 120.0 . . ?
C10A C01E H01H 120.0 . . ?
C7 C0 H0 119.0 . . ?
C7 C0 C17 122(2) . . ?
C17 C0 H0 119.0 . . ?
C7 C11 H11 117.9 . . ?
C18 C11 C7 124(3) . . ?
C18 C11 H11 117.9 . . ?
C19 C12 H12 120.0 . . ?
C19 C12 C1A 120.0 . . ?
C1A C12 H12 120.0 . . ?
C12 C19 H19 120.0 . . ?
C01G C19 C12 120.0 . . ?
C01G C19 H19 120.0 . . ?
C19 C01G H01G 120.0 . . ?
C19 C01G C1D 120.0 . . ?
C1D C01G H01G 120.0 . . ?
C01G C1D H1D 120.0 . . ?
C01G C1D C01J 120.0 . . ?
C01J C1D H1D 120.0 . . ?
C6 C01J C1D 115.0(17) . . ?
C6 C01J C1A 124.8(17) . . ?
C1A C01J C1D 120.0 . . ?
C01J C1A C12 120.0 . . ?
C1B C1A C12 123.7(16) . . ?
C1B C1A C01J 116.2(16) . . ?
C3A C2A H2A 120.0 . . ?
C3A C2A C9 120.0 . . ?
C9 C2A H2A 120.0 . . ?
C2A C3A H3A 120.0 . . ?
C01O C3A C2A 120.0 . . ?
C01O C3A H3A 120.0 . . ?
C3A C01O H01O 120.0 . . ?
C3A C01O C4A 120.0 . . ?
C4A C01O H01O 120.0 . . ?
C01O C4A H4A 120.0 . . ?
C5A C4A C01O 120.0 . . ?
C5A C4A H4A 120.0 . . ?
C4A C5A H5A 120.0 . . ?
C4A C5A C9 120.0 . . ?
C9 C5A H5A 120.0 . . ?
C2A C9 P0 122.5(10) . . ?
C5A C9 P0 117.5(10) . . ?
C5A C9 C2A 120.0 . . ?
C0 C17 H17 121.9 . . ?
C1C C17 C0 116(3) . . ?
C1C C17 H17 121.9 . . ?
C11 C18 H18 120.1 . . ?
C11 C18 C1C 120(3) . . ?
C1C C18 H18 120.1 . . ?
C1A C1B C01H 122(2) . . ?
C1A C1B C39A 117(2) . . ?
C39A C1B C01H 121(2) . . ?
C17 C1C C18 123(3) . . ?
C17 C1C H1C 116.8 . . ?
C18 C1C H1C 120.1 . . ?
C1B C39A H39A 118.3 . . ?
C01S C39A C1B 123(3) . . ?
C01S C39A H39A 118.3 . . ?
C6 C01S H01S 120.2 . . ?
C39A C01S C6 120(3) . . ?
C39A C01S H01S 120.2 . . ?

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
P002 C009 C00F C010 167.7(8) . . . . ?
P002 C009 C1 C00G -167.9(8) . . . . ?
P002 C00H C00N C00L 177.8(8) . . . . ?
P002 C00H C012 C00X -178.4(9) . . . . ?
P002 C00U C00Z C011 -177.8(10) . . . . ?
P002 C00U C017 C01B 174.5(12) . . . . ?
P008 C00Q C01M C013 171.9(17) . . . . ?
P008 C00Q C018 C019 -171.8(17) . . . . ?
P008 C01H C1B C1A 94(2) . . . . ?
P008 C01H C1B C39A -93(3) . . . . ?
P008 C16 C15 C14 172.5(14) . . . . ?
P008 C16 C01D C10 -172.3(15) . . . . ?
C009 P002 C00H C00N 136.7(8) . . . . ?
C009 P002 C00H C012 -47.8(10) . . . . ?
C009 P002 C00J C00E 48.2(8) . . . . ?
C009 P002 C00U C00Z -157.1(10) . . . . ?
C009 P002 C00U C017 24.1(12) . . . . ?
C009 C00F C010 C00P 1.4(15) . . . . ?
C00A C00B C00E C00D -2.8(13) . . . . ?
C00A C00B C00E C00J 178.3(8) . . . . ?
C00A C00B C00K C00T -2.4(13) . . . . ?
C00A C00I C00M C00D 0.4(18) . . . . ?
C00A C00Y C016 C00T -3.0(19) . . . . ?
C00B C00A C00I C00M -0.7(16) . . . . ?
C00B C00A C00Y C016 0.7(17) . . . . ?
C00B C00E C00J P002 -89.5(9) . . . . ?
C00B C00K C00T C016 0.1(17) . . . . ?
C00D C00E C00J P002 91.6(9) . . . . ?
C00E C00B C00K C00T 176.8(9) . . . . ?
C00E C00D C00M C00I -1.4(17) . . . . ?
C00F C009 C1 C00G 1.1(14) . . . . ?
C00G C00P C010 C00F -1.0(16) . . . . ?
C00H P002 C009 C00F 162.4(8) . . . . ?
C00H P002 C009 C1 -28.7(9) . . . . ?
C00H P002 C00J C00E 169.1(7) . . . . ?
C00H P002 C00U C00Z 82.6(11) . . . . ?
C00H P002 C00U C017 -96.1(11) . . . . ?
C00I C00A C00B C00E 1.9(14) . . . . ?
C00I C00A C00B C00K -178.9(9) . . . . ?
C00I C00A C00Y C016 -178.3(11) . . . . ?
C00J P002 C009 C00F -77.4(8) . . . . ?
C00J P002 C009 C1 91.6(8) . . . . ?
C00J P002 C00H C00N 17.1(10) . . . . ?
C00J P002 C00H C012 -167.4(9) . . . . ?
C00J P002 C00U C00Z -37.3(11) . . . . ?
C00J P002 C00U C017 143.9(10) . . . . ?
C00K C00B C00E C00D 178.0(9) . . . . ?
C00K C00B C00E C00J -0.9(13) . . . . ?
C00K C00T C016 C00Y 3(2) . . . . ?
C00L C00R C00X C012 -2(2) . . . . ?
C00M C00D C00E C00B 2.6(14) . . . . ?
C00M C00D C00E C00J -178.5(9) . . . . ?
C00N C00H C012 C00X -2.8(17) . . . . ?
C00N C00L C00R C00X 1.3(19) . . . . ?
C00O C015 C01F C01L 0.0 . . . . ?
C00O C01A C00W C39 -176.7(17) . . . . ?
C015 C00O C01A C01I 0.0 . . . . ?
C015 C00O C01A C00W 177(2) . . . . ?
C015 C00O C8 P0 77(2) . . . . ?
C015 C01F C01L C01I 0.0 . . . . ?
C01F C01L C01I C01A 0.0 . . . . ?
C01F C01L C01I C01C -179.4(18) . . . . ?
C01L C01I C01A C00O 0.0 . . . . ?
C01L C01I C01A C00W -177(2) . . . . ?
C01L C01I C01C C01R 175.1(19) . . . . ?
C01I C01A C00W C39 0(3) . . . . ?
C01I C01C C01R C39 3(4) . . . . ?
C01A C00O C015 C01F 0.0 . . . . ?
C01A C00O C8 P0 -100.1(17) . . . . ?
C01A C01I C01C C01R -4(3) . . . . ?
C01A C00W C39 C01R -2(4) . . . . ?
C00P C00G C1 C009 -0.7(15) . . . . ?
C00Q P008 C01H C1B -173.5(18) . . . . ?
C00Q P008 C00V C2 -153.0(11) . . . . ?
C00Q P008 C00V C5 32.8(13) . . . . ?
C00Q P008 C16 C15 -78.8(13) . . . . ?
C00Q P008 C16 C01D 93.6(13) . . . . ?
C00Q C01M C013 C00S 0.0 . . . . ?
C01M C00Q C018 C019 0.0 . . . . ?
C01M C013 C00S C019 0.0 . . . . ?
C013 C00S C019 C018 0.0 . . . . ?
C00S C019 C018 C00Q 0.0 . . . . ?
C018 C00Q C01M C013 0.0 . . . . ?
C00R C00L C00N C00H -1.5(17) . . . . ?
C00R C00X C012 C00H 2.6(19) . . . . ?
C00U P002 C009 C00F 44.0(9) . . . . ?
C00U P002 C009 C1 -147.1(8) . . . . ?
C00U P002 C00H C00N -103.8(9) . . . . ?
C00U P002 C00H C012 71.7(10) . . . . ?
C00U P002 C00J C00E -72.1(8) . . . . ?
C00U C00Z C011 C014 1(2) . . . . ?
C00U C017 C01B C014 5(3) . . . . ?
C00Y C00A C00B C00E -177.1(9) . . . . ?
C00Y C00A C00B C00K 2.1(14) . . . . ?
C00Y C00A C00I C00M 178.3(11) . . . . ?
C00Z C00U C017 C01B -4(2) . . . . ?
C00Z C011 C014 C01B 0(3) . . . . ?
C011 C014 C01B C017 -3(3) . . . . ?
C012 C00H C00N C00L 2.3(16) . . . . ?
C017 C00U C00Z C011 1.0(19) . . . . ?
C01C C01I C01A C00O 179.4(18) . . . . ?
C01C C01I C01A C00W 3(2) . . . . ?
C01C C01R C39 C00W 0(4) . . . . ?
C01H P008 C00Q C01M 157.8(14) . . . . ?
C01H P008 C00Q C018 -30.3(17) . . . . ?
C01H P008 C00V C2 85.9(13) . . . . ?
C01H P008 C00V C5 -88.3(12) . . . . ?
C01H P008 C16 C15 40.1(13) . . . . ?
C01H P008 C16 C01D -147.4(11) . . . . ?
C01H C1B C39A C01S 175(3) . . . . ?
C1 C009 C00F C010 -1.5(14) . . . . ?
C1 C00G C00P C010 0.7(17) . . . . ?
C2 C3 C01N C4 0.0 . . . . ?
C3 C2 C00V P008 -174.1(13) . . . . ?
C3 C2 C00V C5 0.0 . . . . ?
C3 C01N C4 C5 0.0 . . . . ?
C01N C4 C5 C00V 0.0 . . . . ?
C4 C5 C00V P008 174.3(13) . . . . ?
C4 C5 C00V C2 0.0 . . . . ?
C00V P008 C00Q C01M 37.7(16) . . . . ?
C00V P008 C00Q C018 -150.5(12) . . . . ?
C00V P008 C01H C1B -52(2) . . . . ?
C00V P008 C16 C15 161.0(10) . . . . ?
C00V P008 C16 C01D -26.6(13) . . . . ?
C00V C2 C3 C01N 0.0 . . . . ?
C16 P008 C00Q C01M -83.4(14) . . . . ?
C16 P008 C00Q C018 88.4(13) . . . . ?
C16 P008 C01H C1B 70(2) . . . . ?
C16 P008 C00V C2 -35.6(12) . . . . ?
C16 P008 C00V C5 150.2(9) . . . . ?
C16 C15 C14 C13 0.0 . . . . ?
C15 C16 C01D C10 0.0 . . . . ?
C15 C14 C13 C10 0.0 . . . . ?
C14 C13 C10 C01D 0.0 . . . . ?
C13 C10 C01D C16 0.0 . . . . ?
C01D C16 C15 C14 0.0 . . . . ?
C6 C01J C1A C12 174.6(19) . . . . ?
C6 C01J C1A C1B -9(2) . . . . ?
P0 C7 C0 C17 -176(2) . . . . ?
P0 C7 C11 C18 -179(2) . . . . ?
P0 C16A C15A C14A 177.2(13) . . . . ?
P0 C16A C01E C10A -177.1(13) . . . . ?
C7 P0 C8 C00O -177.3(19) . . . . ?
C7 P0 C16A C15A 5.3(15) . . . . ?
C7 P0 C16A C01E -177.5(12) . . . . ?
C7 P0 C9 C2A -121.8(12) . . . . ?
C7 P0 C9 C5A 59.9(14) . . . . ?
C7 C0 C17 C1C -3(4) . . . . ?
C7 C11 C18 C1C -8(5) . . . . ?
C8 C00O C015 C01F -177.4(17) . . . . ?
C8 C00O C01A C01I 177.5(16) . . . . ?
C8 C00O C01A C00W -6(2) . . . . ?
C8 P0 C7 C0 -37(3) . . . . ?
C8 P0 C7 C11 151(3) . . . . ?
C8 P0 C16A C15A 124.7(11) . . . . ?
C8 P0 C16A C01E -58.1(13) . . . . ?
C8 P0 C9 C2A 120.0(12) . . . . ?
C8 P0 C9 C5A -58.2(13) . . . . ?
C16A P0 C7 C0 84(2) . . . . ?
C16A P0 C7 C11 -88(3) . . . . ?
C16A P0 C8 C00O 60(2) . . . . ?
C16A P0 C9 C2A -0.1(12) . . . . ?
C16A P0 C9 C5A -178.4(10) . . . . ?
C16A C15A C14A C13A 0.0 . . . . ?
C15A C16A C01E C10A 0.0 . . . . ?
C15A C14A C13A C10A 0.0 . . . . ?
C14A C13A C10A C01E 0.0 . . . . ?
C13A C10A C01E C16A 0.0 . . . . ?
C01E C16A C15A C14A 0.0 . . . . ?
C0 C7 C11 C18 8(4) . . . . ?
C0 C17 C1C C18 3(5) . . . . ?
C11 C7 C0 C17 -3(4) . . . . ?
C11 C18 C1C C17 2(5) . . . . ?
C12 C19 C01G C1D 0.0 . . . . ?
C12 C1A C1B C01H -1(3) . . . . ?
C12 C1A C1B C39A -174(2) . . . . ?
C19 C12 C1A C01J 0.0 . . . . ?
C19 C12 C1A C1B -176.5(19) . . . . ?
C19 C01G C1D C01J 0.0 . . . . ?
C01G C1D C01J C6 -175.1(17) . . . . ?
C01G C1D C01J C1A 0.0 . . . . ?
C1D C01J C1A C12 0.0 . . . . ?
C1D C01J C1A C1B 176.8(17) . . . . ?
C01J C6 C01S C39A -9(4) . . . . ?
C01J C1A C1B C01H -177.7(16) . . . . ?
C01J C1A C1B C39A 9(3) . . . . ?
C1A C12 C19 C01G 0.0 . . . . ?
C1A C1B C39A C01S -12(5) . . . . ?
C2A C3A C01O C4A 0.0 . . . . ?
C3A C2A C9 P0 -178.2(13) . . . . ?
C3A C2A C9 C5A 0.0 . . . . ?
C3A C01O C4A C5A 0.0 . . . . ?
C01O C4A C5A C9 0.0 . . . . ?
C4A C5A C9 P0 178.3(12) . . . . ?
C4A C5A C9 C2A 0.0 . . . . ?
C9 P0 C7 C0 -157(2) . . . . ?
C9 P0 C7 C11 30(3) . . . . ?
C9 P0 C8 C00O -58(2) . . . . ?
C9 P0 C16A C15A -114.3(10) . . . . ?
C9 P0 C16A C01E 62.9(12) . . . . ?
C9 C2A C3A C01O 0.0 . . . . ?
C1B C39A C01S C6 11(5) . . . . ?
C01S C6 C01J C1D -177(2) . . . . ?
C01S C6 C01J C1A 8(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.226 0.179 0.657 157.3 32.3 ?
2 0.274 0.321 0.343 157.3 33.4 ?
3 0.226 0.679 0.843 157.3 32.9 ?
4 -0.274 0.821 0.157 157.3 33.7 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.95(4)
2 0.05(4)

####################################################################### 
# 
# 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_230512lu_lgpz104292_2_300k_0m
_database_code_depnum_ccdc_archive 'CCDC 2355063'
loop_
_audit_author_name
_audit_author_address
'sijun cao'
;Chongqing University
China
;
_audit_update_record             
;
2024-05-13 deposited with the CCDC.	2024-06-26 downloaded from the CCDC.
;
_audit_creation_date             2023-05-12
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl3 Sb, C29 H24 P, Cl'
_chemical_formula_sum            'C29 H24 Cl4 P Sb'
_chemical_formula_weight         667.00
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2543 0.3332 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb 0.1003 4.6759 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.843(4)
_cell_length_b                   12.238(5)
_cell_length_c                   13.423(5)
_cell_angle_alpha                63.782(10)
_cell_angle_beta                 67.746(11)
_cell_angle_gamma                67.259(13)
_cell_volume                     1426.5(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9290
_cell_measurement_temperature    300.00
_cell_measurement_theta_max      59.34
_cell_measurement_theta_min      4.17
_shelx_estimated_absorpt_T_max   0.503
_shelx_estimated_absorpt_T_min   0.424
_exptl_absorpt_coefficient_mu    7.970
_exptl_absorpt_correction_T_max  0.7518
_exptl_absorpt_correction_T_min  0.4702
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1084 before and 0.0537 after correction.
The Ratio of minimum to maximum transmission is 0.6254.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.933
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16695
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.933
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         60.235
_diffrn_reflns_theta_min         3.973
_diffrn_ambient_temperature      300.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Metaljet PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   MetalJet
_diffrn_source_current           2.86
_diffrn_source_power             0.19937059999999998
_diffrn_source_type              'Liquid Metal source'
_diffrn_source_voltage           69.71
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5238
_reflns_number_total             6044
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX4 V2022.10-1 (Bruker, 2022)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.804
_refine_diff_density_min         -1.279
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       0.0042(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         6044
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0373
_refine_ls_restrained_S_all      1.135
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0306P)²+2.4591P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.1053
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B)
2.b Aromatic/amide H refined with riding coordinates:
 C18(H18), C21(H21), C2(H2), C14(H14), C12(H12), C4(H4), C28(H28), C6(H6),
 C9(H9), C8(H8), C3(H3), C5(H5), C10(H10), C27(H27), C11(H11), C22(H22),
 C23(H23), C17(H17), C15(H15), C16(H16), C26(H26), C25(H25)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.43157(3) 0.62980(2) 0.09060(2) 0.04413(12) Uani 1 1 d . . . . .
P1 P 0.79741(10) 0.22051(9) 0.38501(8) 0.0384(2) Uani 1 1 d . . . . .
Cl4 Cl 0.53064(12) 0.64055(10) -0.14661(10) 0.0586(3) Uani 1 1 d . . . . .
Cl2 Cl 0.20326(12) 0.66960(11) 0.07968(10) 0.0604(3) Uani 1 1 d . . . . .
Cl3 Cl 0.34719(13) 0.59978(12) 0.29806(10) 0.0647(3) Uani 1 1 d . . . . .
Cl1 Cl 0.40636(16) 0.85551(11) 0.03260(11) 0.0748(4) Uani 1 1 d . . . . .
C1 C 0.7179(4) 0.1152(4) 0.5182(3) 0.0417(8) Uani 1 1 d . . . . .
C13 C 0.9199(4) 0.2717(3) 0.4032(4) 0.0428(8) Uani 1 1 d . . . . .
C20 C 0.7144(4) 0.4688(4) 0.2388(3) 0.0428(8) Uani 1 1 d . . . . .
C29 C 0.7264(4) 0.5654(4) 0.2634(4) 0.0468(9) Uani 1 1 d . . . . .
C18 C 1.0027(5) 0.3398(4) 0.3041(4) 0.0539(10) Uani 1 1 d . . . . .
H18 H 1.002089 0.348167 0.232018 0.065 Uiso 1 1 calc R U . . .
C19 C 0.6611(4) 0.3585(4) 0.3334(4) 0.0439(9) Uani 1 1 d . . . . .
H19A H 0.608757 0.334645 0.305104 0.053 Uiso 1 1 calc R U . . .
H19B H 0.598515 0.385551 0.397252 0.053 Uiso 1 1 calc R U . . .
C21 C 0.7543(5) 0.4737(4) 0.1271(4) 0.0539(10) Uani 1 1 d . . . . .
H21 H 0.746114 0.410294 0.111546 0.065 Uiso 1 1 calc R U . . .
C2 C 0.6397(5) 0.1573(4) 0.6104(4) 0.0517(10) Uani 1 1 d . . . . .
H2 H 0.628436 0.239533 0.603108 0.062 Uiso 1 1 calc R U . . .
C7 C 0.8823(4) 0.1400(4) 0.2835(3) 0.0432(8) Uani 1 1 d . . . . .
C14 C 0.9231(5) 0.2579(4) 0.5104(4) 0.0506(10) Uani 1 1 d . . . . .
H14 H 0.869938 0.211008 0.576352 0.061 Uiso 1 1 calc R U . . .
C12 C 1.0229(5) 0.0770(4) 0.2717(4) 0.0535(10) Uani 1 1 d . . . . .
H12 H 1.073937 0.083993 0.309894 0.064 Uiso 1 1 calc R U . . .
C4 C 0.5931(6) -0.0452(5) 0.7233(5) 0.0714(14) Uani 1 1 d . . . . .
H4 H 0.551859 -0.099157 0.792047 0.086 Uiso 1 1 calc R U . . .
C28 C 0.6876(5) 0.5675(4) 0.3771(4) 0.0540(10) Uani 1 1 d . . . . .
H28 H 0.652288 0.503500 0.438778 0.065 Uiso 1 1 calc R U . . .
C6 C 0.7320(5) -0.0075(4) 0.5298(4) 0.0520(10) Uani 1 1 d . . . . .
H6 H 0.784326 -0.036662 0.469050 0.062 Uiso 1 1 calc R U . . .
C9 C 0.8715(6) 0.0547(4) 0.1574(4) 0.0595(12) Uani 1 1 d . . . . .
H9 H 0.821348 0.047591 0.118603 0.071 Uiso 1 1 calc R U . . .
C8 C 0.8073(5) 0.1287(4) 0.2266(4) 0.0522(10) Uani 1 1 d . . . . .
H8 H 0.713931 0.170582 0.234603 0.063 Uiso 1 1 calc R U . . .
C3 C 0.5787(5) 0.0762(5) 0.7132(4) 0.0652(13) Uani 1 1 d . . . . .
H3 H 0.528185 0.103717 0.775227 0.078 Uiso 1 1 calc R U . . .
C5 C 0.6676(6) -0.0864(5) 0.6326(5) 0.0684(14) Uani 1 1 d . . . . .
H5 H 0.675258 -0.167676 0.639653 0.082 Uiso 1 1 calc R U . . .
C24 C 0.7807(5) 0.6648(4) 0.1708(4) 0.0594(12) Uani 1 1 d . . . . .
C10 C 1.0081(6) -0.0074(4) 0.1465(4) 0.0662(14) Uani 1 1 d . . . . .
H10 H 1.050281 -0.057916 0.101189 0.079 Uiso 1 1 calc R U . . .
C27 C 0.7016(6) 0.6628(5) 0.3962(5) 0.0698(14) Uani 1 1 d . . . . .
H27 H 0.674783 0.663540 0.470420 0.084 Uiso 1 1 calc R U . . .
C11 C 1.0849(5) 0.0038(5) 0.2017(4) 0.0658(13) Uani 1 1 d . . . . .
H11 H 1.178418 -0.037915 0.192170 0.079 Uiso 1 1 calc R U . . .
C22 C 0.8074(6) 0.5723(5) 0.0352(4) 0.0725(14) Uani 1 1 d . . . . .
H22 H 0.833592 0.573549 -0.039685 0.087 Uiso 1 1 calc R U . . .
C23 C 0.8200(6) 0.6651(5) 0.0569(5) 0.0762(15) Uani 1 1 d . . . . .
H23 H 0.854902 0.730022 -0.003737 0.091 Uiso 1 1 calc R U . . .
C17 C 1.0856(5) 0.3946(5) 0.3146(5) 0.0686(14) Uani 1 1 d . . . . .
H17 H 1.141327 0.439474 0.249333 0.082 Uiso 1 1 calc R U . . .
C15 C 1.0064(5) 0.3146(5) 0.5190(5) 0.0671(13) Uani 1 1 d . . . . .
H15 H 1.008234 0.306143 0.590797 0.080 Uiso 1 1 calc R U . . .
C16 C 1.0852(6) 0.3824(5) 0.4222(6) 0.0745(16) Uani 1 1 d . . . . .
H16 H 1.139364 0.421025 0.428653 0.089 Uiso 1 1 calc R U . . .
C26 C 0.7562(7) 0.7587(5) 0.3044(6) 0.0823(17) Uani 1 1 d . . . . .
H26 H 0.766207 0.822593 0.318174 0.099 Uiso 1 1 calc R U . . .
C25 C 0.7950(6) 0.7596(5) 0.1948(6) 0.0792(16) Uani 1 1 d . . . . .
H25 H 0.831579 0.824040 0.134833 0.095 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
Sb1 Cl2 2.3804(15) . ?
Sb1 Cl3 2.4806(15) . ?
Sb1 Cl1 2.4471(15) . ?
P1 C1 1.805(4) . ?
P1 C13 1.801(4) . ?
P1 C19 1.825(4) . ?
P1 C7 1.792(4) . ?
C1 C2 1.395(6) . ?
C1 C6 1.391(5) . ?
C13 C18 1.402(6) . ?
C13 C14 1.385(6) . ?
C20 C29 1.421(5) . ?
C20 C19 1.516(5) . ?
C20 C21 1.375(6) . ?
C29 C28 1.430(6) . ?
C29 C24 1.427(6) . ?
C18 H18 0.9300 . ?
C18 C17 1.385(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C21 H21 0.9300 . ?
C21 C22 1.412(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.390(6) . ?
C7 C12 1.400(6) . ?
C7 C8 1.384(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.394(6) . ?
C12 H12 0.9300 . ?
C12 C11 1.392(6) . ?
C4 H4 0.9300 . ?
C4 C3 1.382(7) . ?
C4 C5 1.368(7) . ?
C28 H28 0.9300 . ?
C28 C27 1.371(6) . ?
C6 H6 0.9300 . ?
C6 C5 1.392(6) . ?
C9 H9 0.9300 . ?
C9 C8 1.390(6) . ?
C9 C10 1.363(7) . ?
C8 H8 0.9300 . ?
C3 H3 0.9300 . ?
C5 H5 0.9300 . ?
C24 C23 1.423(8) . ?
C24 C25 1.408(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.380(7) . ?
C27 H27 0.9300 . ?
C27 C26 1.398(8) . ?
C11 H11 0.9300 . ?
C22 H22 0.9300 . ?
C22 C23 1.354(8) . ?
C23 H23 0.9300 . ?
C17 H17 0.9300 . ?
C17 C16 1.384(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.365(8) . ?
C16 H16 0.9300 . ?
C26 H26 0.9300 . ?
C26 C25 1.365(9) . ?
C25 H25 0.9300 . ?

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
Cl2 Sb1 Cl3 90.77(5) . . ?
Cl2 Sb1 Cl1 91.57(5) . . ?
Cl1 Sb1 Cl3 93.45(4) . . ?
C1 P1 C19 107.95(18) . . ?
C13 P1 C1 111.86(19) . . ?
C13 P1 C19 108.82(18) . . ?
C7 P1 C1 108.48(18) . . ?
C7 P1 C13 109.85(19) . . ?
C7 P1 C19 109.86(19) . . ?
C2 C1 P1 119.9(3) . . ?
C6 C1 P1 120.7(3) . . ?
C6 C1 C2 119.3(4) . . ?
C18 C13 P1 117.6(3) . . ?
C14 C13 P1 122.0(3) . . ?
C14 C13 C18 120.0(4) . . ?
C29 C20 C19 121.5(4) . . ?
C21 C20 C29 119.5(4) . . ?
C21 C20 C19 119.0(4) . . ?
C20 C29 C28 123.2(4) . . ?
C20 C29 C24 118.8(4) . . ?
C24 C29 C28 118.1(4) . . ?
C13 C18 H18 120.3 . . ?
C17 C18 C13 119.4(5) . . ?
C17 C18 H18 120.3 . . ?
P1 C19 H19A 108.8 . . ?
P1 C19 H19B 108.8 . . ?
C20 C19 P1 113.6(3) . . ?
C20 C19 H19A 108.8 . . ?
C20 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
C20 C21 H21 119.0 . . ?
C20 C21 C22 121.9(4) . . ?
C22 C21 H21 119.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0(4) . . ?
C3 C2 H2 120.0 . . ?
C12 C7 P1 118.9(3) . . ?
C8 C7 P1 120.5(3) . . ?
C8 C7 C12 120.2(4) . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.7(5) . . ?
C15 C14 H14 120.2 . . ?
C7 C12 H12 120.7 . . ?
C11 C12 C7 118.6(4) . . ?
C11 C12 H12 120.7 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C5 C4 C3 120.3(4) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 C29 120.8(5) . . ?
C27 C28 H28 119.6 . . ?
C1 C6 H6 120.1 . . ?
C1 C6 C5 119.8(4) . . ?
C5 C6 H6 120.1 . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C10 C9 C8 119.8(4) . . ?
C7 C8 C9 120.1(4) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0(5) . . ?
C4 C3 H3 120.0 . . ?
C4 C5 C6 120.5(4) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C23 C24 C29 119.2(4) . . ?
C25 C24 C29 119.1(5) . . ?
C25 C24 C23 121.7(5) . . ?
C9 C10 H10 119.5 . . ?
C9 C10 C11 120.9(4) . . ?
C11 C10 H10 119.5 . . ?
C28 C27 H27 119.9 . . ?
C28 C27 C26 120.2(5) . . ?
C26 C27 H27 119.9 . . ?
C12 C11 H11 119.8 . . ?
C10 C11 C12 120.4(5) . . ?
C10 C11 H11 119.8 . . ?
C21 C22 H22 120.2 . . ?
C23 C22 C21 119.5(5) . . ?
C23 C22 H22 120.2 . . ?
C24 C23 H23 119.5 . . ?
C22 C23 C24 121.1(5) . . ?
C22 C23 H23 119.5 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 119.9(5) . . ?
C16 C17 H17 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.1(5) . . ?
C16 C15 H15 120.0 . . ?
C17 C16 H16 119.6 . . ?
C15 C16 C17 120.9(5) . . ?
C15 C16 H16 119.6 . . ?
C27 C26 H26 119.7 . . ?
C25 C26 C27 120.6(5) . . ?
C25 C26 H26 119.7 . . ?
C24 C25 H25 119.4 . . ?
C26 C25 C24 121.1(5) . . ?
C26 C25 H25 119.4 . . ?

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
P1 C1 C2 C3 -179.8(4) . . . . ?
P1 C1 C6 C5 -178.7(4) . . . . ?
P1 C13 C18 C17 171.9(4) . . . . ?
P1 C13 C14 C15 -171.1(3) . . . . ?
P1 C7 C12 C11 173.4(4) . . . . ?
P1 C7 C8 C9 -173.1(3) . . . . ?
C1 P1 C13 C18 171.5(3) . . . . ?
C1 P1 C13 C14 -15.7(4) . . . . ?
C1 P1 C19 C20 165.8(3) . . . . ?
C1 P1 C7 C12 -94.2(4) . . . . ?
C1 P1 C7 C8 79.0(4) . . . . ?
C1 C2 C3 C4 -1.4(8) . . . . ?
C1 C6 C5 C4 -1.5(8) . . . . ?
C13 P1 C1 C2 61.4(4) . . . . ?
C13 P1 C1 C6 -119.5(4) . . . . ?
C13 P1 C19 C20 44.2(3) . . . . ?
C13 P1 C7 C12 28.4(4) . . . . ?
C13 P1 C7 C8 -158.5(3) . . . . ?
C13 C18 C17 C16 -0.4(7) . . . . ?
C13 C14 C15 C16 -0.6(7) . . . . ?
C20 C29 C28 C27 179.8(4) . . . . ?
C20 C29 C24 C23 0.6(7) . . . . ?
C20 C29 C24 C25 -178.9(5) . . . . ?
C20 C21 C22 C23 0.1(8) . . . . ?
C29 C20 C19 P1 -93.1(4) . . . . ?
C29 C20 C21 C22 0.1(7) . . . . ?
C29 C28 C27 C26 -0.9(8) . . . . ?
C29 C24 C23 C22 -0.4(8) . . . . ?
C29 C24 C25 C26 -0.9(8) . . . . ?
C18 C13 C14 C15 1.6(6) . . . . ?
C18 C17 C16 C15 1.5(8) . . . . ?
C19 P1 C1 C2 -58.3(4) . . . . ?
C19 P1 C1 C6 120.8(4) . . . . ?
C19 P1 C13 C18 -69.4(4) . . . . ?
C19 P1 C13 C14 103.5(4) . . . . ?
C19 P1 C7 C12 148.0(3) . . . . ?
C19 P1 C7 C8 -38.8(4) . . . . ?
C19 C20 C29 C28 -1.1(6) . . . . ?
C19 C20 C29 C24 178.4(4) . . . . ?
C19 C20 C21 C22 -178.8(4) . . . . ?
C21 C20 C29 C28 -179.9(4) . . . . ?
C21 C20 C29 C24 -0.4(6) . . . . ?
C21 C20 C19 P1 85.8(4) . . . . ?
C21 C22 C23 C24 0.1(9) . . . . ?
C2 C1 C6 C5 0.3(7) . . . . ?
C7 P1 C1 C2 -177.3(3) . . . . ?
C7 P1 C1 C6 1.8(4) . . . . ?
C7 P1 C13 C18 51.0(4) . . . . ?
C7 P1 C13 C14 -136.2(3) . . . . ?
C7 P1 C19 C20 -76.1(3) . . . . ?
C7 C12 C11 C10 -0.8(7) . . . . ?
C14 C13 C18 C17 -1.1(6) . . . . ?
C14 C15 C16 C17 -1.0(8) . . . . ?
C12 C7 C8 C9 0.0(7) . . . . ?
C28 C29 C24 C23 -179.9(5) . . . . ?
C28 C29 C24 C25 0.6(7) . . . . ?
C28 C27 C26 C25 0.6(9) . . . . ?
C6 C1 C2 C3 1.1(7) . . . . ?
C9 C10 C11 C12 1.3(8) . . . . ?
C8 C7 C12 C11 0.2(7) . . . . ?
C8 C9 C10 C11 -1.1(8) . . . . ?
C3 C4 C5 C6 1.2(9) . . . . ?
C5 C4 C3 C2 0.2(9) . . . . ?
C24 C29 C28 C27 0.3(7) . . . . ?
C10 C9 C8 C7 0.5(7) . . . . ?
C27 C26 C25 C24 0.3(9) . . . . ?
C23 C24 C25 C26 179.6(6) . . . . ?
C25 C24 C23 C22 179.1(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
